Call +1 (833) 552-7181 or Contact us Earn $25 in coupons on your first order with Aladdin!
Toggle Nav
My Cart
Search
Advanced Search
Menu
Sign In
྾

Phe-His-Leu-Leu-Arg-Glu-Val-Leu-Glu-Met-Ala-Arg-Ala-Glu-Gln-Leu-Ala-Gln-Gln-Ala-His-Ser-Asn-Arg-Lys-Leu-Met-Glu-Ile-Ile ([DPhe12, C alpha MeLeu17, NLe21,38] h/r CRF12-41)

main product photo

ID: ALA2370287

PubChem CID: 73354548

Max Phase: Preclinical

Molecular Formula: C173H294N52O46

Molecular Weight: 3838.57

Molecule Type: Protein

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES:  CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@](C)(CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)CC

Standard InChI:  InChI=1S/C173H294N52O46/c1-29-33-45-103(201-151(253)113(55-61-131(235)236)209-157(259)119(71-88(13)14)218-166(268)133(91(19)20)224-169(271)173(28,77-90(17)18)225-165(267)108(50-42-66-191-172(185)186)205-156(258)117(69-86(9)10)214-158(260)118(70-87(11)12)215-160(262)123(75-101-79-188-83-193-101)216-159(261)121(73-99-43-36-35-37-44-99)219-168(270)136(98(27)228)223-163(265)120(72-89(15)16)211-142(244)102(175)80-226)143(245)194-94(23)138(240)198-106(48-40-64-189-170(181)182)144(246)195-95(24)139(241)200-112(54-60-130(233)234)150(252)207-111(53-59-128(178)231)152(254)212-115(67-84(5)6)154(256)197-96(25)140(242)199-110(52-58-127(177)230)149(251)206-109(51-57-126(176)229)145(247)196-97(26)141(243)210-122(74-100-78-187-82-192-100)161(263)220-125(81-227)164(266)217-124(76-129(179)232)162(264)204-107(49-41-65-190-171(183)184)147(249)202-105(47-38-39-63-174)148(250)213-116(68-85(7)8)155(257)203-104(46-34-30-2)146(248)208-114(56-62-132(237)238)153(255)222-135(93(22)32-4)167(269)221-134(137(180)239)92(21)31-3/h35-37,43-44,78-79,82-98,102-125,133-136,226-228H,29-34,38-42,45-77,80-81,174-175H2,1-28H3,(H2,176,229)(H2,177,230)(H2,178,231)(H2,179,232)(H2,180,239)(H,187,192)(H,188,193)(H,194,245)(H,195,246)(H,196,247)(H,197,256)(H,198,240)(H,199,242)(H,200,241)(H,201,253)(H,202,249)(H,203,257)(H,204,264)(H,205,258)(H,206,251)(H,207,252)(H,208,248)(H,209,259)(H,210,243)(H,211,244)(H,212,254)(H,213,250)(H,214,260)(H,215,262)(H,216,261)(H,217,266)(H,218,268)(H,219,270)(H,220,263)(H,221,269)(H,222,255)(H,223,265)(H,224,271)(H,225,267)(H,233,234)(H,235,236)(H,237,238)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t92-,93-,94-,95-,96-,97-,98+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121+,122-,123-,124-,125-,133-,134-,135-,136-,173+/m0/s1

Standard InChI Key:  RQDARYLJHUNMAC-YVWAAFHXSA-N

Molfile:  

     RDKit          2D

271273  0  0  1  0  0  0  0  0999 V2000
   18.3187   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6034    0.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7729  -51.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3187   -1.1470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7554  -10.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7729  -51.9302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1819   -8.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4666   -8.9949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0617  -49.8665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1819   -7.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0298   -1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0791  -38.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3464  -49.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7452   -3.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7944  -36.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6526  -39.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4615   -1.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0350   -2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1768    0.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0401  -12.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3238   -4.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4851  -27.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045  -45.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8972   -7.3423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8932   -6.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2004  -25.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6136  -13.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6269  -23.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6526  -30.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833  -32.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7944  -34.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4892  -43.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3381  -21.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4759  -17.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415  -28.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9373  -42.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7647  -19.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9023  -16.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6311  -47.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7944  -37.0689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6034    0.9168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0791  -37.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7554  -11.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3638  -38.7215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1768    0.0905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7452   -2.7996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0617  -50.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5097  -35.0052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7503   -1.5621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0350   -3.6259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2004  -25.9240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4892  -44.5017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4707   -9.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3638  -39.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3289  -12.7112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3679  -31.2889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9116  -23.8602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415  -29.6404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3381  -22.2076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6311  -48.2179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2261  -27.5766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6526  -40.7853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9198  -46.1543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6085   -5.2785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1870  -16.4276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0791  -33.3567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0534  -20.1440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2220  -42.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4759  -18.4913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6136  -14.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5057  -35.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4615   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4840  -52.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833  -39.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8880    1.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0298   -2.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0401  -11.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4851  -26.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045  -44.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3197   -4.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7503   -2.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1573    2.1748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6280  -38.3310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1851   -6.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6228  -16.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045  -38.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1994  -51.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4605   -4.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2210  -37.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7461    0.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3464  -48.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3679  -32.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3289  -13.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6568  -30.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6269  -22.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9116  -24.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2210  -36.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7461    0.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7944  -39.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0802    1.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5509  -37.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7944  -33.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2261  -28.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0534  -20.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1870  -17.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2220  -43.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9198  -46.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9373  -41.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6085   -6.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9023  -15.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7647  -18.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3351    2.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8057  -38.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833  -28.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0576  -25.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2220  -32.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7524   -6.1747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045  -37.6486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6228  -15.3546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963  -20.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7729  -46.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4749  -13.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4121    1.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8870  -37.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0319   -0.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3402  -50.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1840   -9.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4543   -8.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7534   -8.9086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6506  -38.6393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6013   -1.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1737   -3.9548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7749  -49.7842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8952   -5.1922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6999    1.1922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6331  -46.0680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6156  -12.6249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2231  -35.9179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0565  -27.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4635   -2.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0812  -39.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0329   -1.4758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6290  -24.7688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3217   -6.1870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024  -47.0628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2231  -34.9230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4738  -16.3412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5088  -42.3557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1984  -23.7739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0812  -31.2067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9085  -17.3361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0606  -43.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667  -21.0525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0422  -13.6198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3320  -20.0576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6547  -32.2015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5128  -28.4851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8880    2.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708  -52.2632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3187   -2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2302  -25.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4656   -2.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3289  -11.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9198  -44.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6085   -3.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0340    0.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3659  -39.8726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3495  -32.1892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833  -27.7411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6290  -24.7606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963  -20.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7729  -46.3187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0462  -13.6115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6269  -25.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3679  -29.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0442  -13.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9116  -22.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6526  -32.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0617  -48.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4892  -38.7215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4697   -6.0967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3381  -16.4276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0514  -16.3412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1851   -7.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760  -38.6352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1994  -51.2725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.0319   -3.7081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1860  -10.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3464  -51.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7944  -38.8860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9373  -32.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3679  -28.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422  -24.6784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4840  -53.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9116  -21.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7596  -13.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0576  -47.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2220  -33.1800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0617  -25.7513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6547  -28.7318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4749  -14.6023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3402  -47.3053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248  -21.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6034    2.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3638  -37.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6547  -43.5849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6105   -7.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6054   -0.2425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4605   -4.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3638  -36.4112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0278   -5.1922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7389   -7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1768   -2.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6085   -2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3187   -3.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9158  -43.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3289  -10.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2302  -25.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0494  -18.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2004  -47.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1870  -14.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3238   -6.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2220  -40.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415  -43.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249  -21.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3453  -28.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7585  -17.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3659  -33.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3381  -17.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4892  -39.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7544   -6.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833  -43.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1994  -53.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3464  -51.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0340    0.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7534   -9.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1860  -10.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7749  -50.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167  -53.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3145    2.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6034    3.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0391   -6.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2261  -39.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0534  -17.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1870  -13.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4892  -46.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6526  -43.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3679  -43.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4717  -13.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2261  -47.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3412  -24.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7472   -3.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8900   -3.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0370   -2.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1799   -2.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7524   -2.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1768   -1.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4871  -43.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3443  -43.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7575   -9.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1676   -8.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7349   -7.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9003   -9.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8016  -24.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1994  -54.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7749  -52.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4717  -12.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7975  -47.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0298    2.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3187    3.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0298    3.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3 47  1  0
  1  4  1  6
  5 53  1  0
  6  3  1  0
  7 10  1  0
  8  7  1  0
  9 13  1  0
 10 24  1  0
 11  4  1  0
 12 42  1  0
 13 91  1  0
 14 46  1  0
 15 71  1  0
 16 54  1  0
 17 72  1  0
 18 81  1  0
 19 75  1  0
 20 77  1  0
 21 80  1  0
 22 78  1  0
 23 79  1  0
 24 25  1  0
 25109  1  0
 26 96  1  0
 27 93  1  0
 28 95  1  0
 29 94  1  0
 30 92  1  0
 31102  1  0
 32106  1  0
 33104  1  0
 34105  1  0
 35103  1  0
 36108  1  0
 37111  1  0
 38110  1  0
 39107  1  0
 40 15  1  0
 41  2  1  0
 42 40  1  1
 43  5  1  0
 44 12  1  0
 45 19  1  0
 46 76  1  0
 47  9  1  6
 48 31  1  0
 49 17  1  0
 50 18  1  0
 51 26  1  0
 52 32  1  0
 53  8  1  1
 54 44  1  6
 55 20  1  0
 56 29  1  0
 57 28  1  0
 58 35  1  0
 59 33  1  0
 60 39  1  0
 61 22  1  0
 62 16  1  0
 63 23  1  0
 64 21  1  0
 65 38  1  0
 66 30  1  0
 67 37  1  0
 68 36  1  0
 69 34  1  0
 70 27  1  0
 71 48  1  6
 72 45  1  0
 73  6  1  6
 74 54  1  0
 75 41  1  0
 76 11  1  0
 77 43  1  0
 78 51  1  6
 79 52  1  1
 80 50  1  0
 81 49  1  0
 82123  1  0
 83124  1  0
 84181  2  0
 85182  2  0
 86180  2  0
 87 73  1  0
 88 14  1  0
 89 97  1  0
 90 98  1  0
 91 60  1  1
 92 56  1  1
 93 55  1  0
 94 58  1  6
 95 59  1  6
 96 57  1  1
 97 71  1  0
 72 98  1  6
 99 74  1  0
100 90  1  0
101 89  1  0
102 66  1  0
103 61  1  0
104 67  1  0
105 65  1  0
106 68  1  6
107 63  1  6
108 62  1  1
109 64  1  0
110 70  1  0
111 69  1  6
112100  2  0
113101  2  0
114192  1  0
115193  1  0
116191  1  0
117 84  1  0
118 86  1  0
119 85  1  0
120195  1  0
121197  1  0
122196  1  0
123 90  2  0
124 89  2  0
125  2  2  0
126  3  2  0
127  5  2  0
128 10  1  0
129  7  2  0
130 12  2  0
131 11  2  0
132 14  2  0
133 13  2  0
134 21  2  0
135 19  2  0
136 23  2  0
137 20  2  0
138 15  2  0
139 22  2  0
140 18  2  0
141 16  2  0
142 17  2  0
143 26  2  0
144 25  2  0
145 39  2  0
146 31  2  0
147 38  2  0
148 36  2  0
149 28  2  0
150 29  2  0
151 34  2  0
152 32  2  0
153 33  2  0
154 27  2  0
155 37  2  0
156 30  2  0
157 35  2  0
 75158  1  1
159 87  2  0
 76160  1  1
161 78  1  0
 81162  1  1
 77163  1  6
164 79  1  0
 80165  1  6
166  1  1  0
167 99  2  0
168116  2  0
169114  2  0
170115  2  0
171120  2  0
172121  2  0
173122  2  0
174 96  1  0
175 94  1  0
 93176  1  1
177 95  1  0
178 92  1  0
179 91  1  0
180230  1  0
181231  1  0
182229  1  0
183 85  1  0
184 84  1  0
185 86  1  0
186 87  1  0
 88187  1  1
188 53  1  0
189 47  1  0
190 99  1  0
191178  1  0
192175  1  0
193174  1  0
194 73  1  0
195177  1  0
196176  1  0
197179  1  0
198116  1  0
199115  1  0
200114  1  0
201122  1  0
202121  1  0
203120  1  0
204158  1  0
205 42  1  0
206232  1  0
 10207  1  6
208166  1  0
209 88  1  0
210205  1  0
211209  1  0
212128  1  0
213162  1  0
214165  1  0
215160  1  0
216164  1  0
217163  1  0
218161  1  0
219111  1  0
220107  1  0
110221  1  6
109222  1  1
223108  1  0
224106  1  0
104225  1  1
103226  1  1
105227  1  1
102228  1  6
229244  1  0
230243  1  0
231242  1  0
232248  1  0
233194  1  0
234189  1  0
166235  1  1
236188  1  0
237188  1  0
189238  1  6
194239  1  6
240204  1  0
241204  2  0
242222  1  0
243223  1  0
244219  1  0
245221  1  0
246220  1  0
247224  1  0
248247  1  0
249245  1  0
250246  1  0
251218  1  0
252215  1  0
253215  1  0
254214  1  0
255214  1  0
256213  1  0
257213  1  0
258216  1  0
259216  1  0
260217  1  0
261212  1  0
262212  1  0
263217  1  0
264218  1  0
265233  1  0
266234  1  0
267249  1  0
268250  1  0
269240  2  0
270241  1  0
271269  1  0
271270  2  0
112 82  1  0
113 83  1  0
M  END

Associated Targets(non-human)

Crhr2 Corticotropin releasing factor receptor (165 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: ProteinTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 3838.57Molecular Weight (Monoisotopic): 3836.2265AlogP: ┄#Rotatable Bonds: ┄
Polar Surface Area: ┄Molecular Species: ┄HBA: ┄HBD: ┄
#RO5 Violations: ┄HBA (Lipinski): ┄HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: ┄CX LogD: ┄
Aromatic Rings: ┄Heavy Atoms: ┄QED Weighted: ┄Np Likeness Score: ┄

References

1. Hernandez JF, Kornreich W, Rivier C, Miranda A, Yamamoto G, Andrews J, Taché Y, Vale W, Rivier J..  (1993)  Synthesis and relative potencies of new constrained CRF antagonists.,  36  (20): [PMID:8411001] [10.1021/jm00072a004]

Source

Source(1):

🔙[Back to Compounds]
Privacy Policy Website Terms of Use Return policy Terms and Conditions of Sale Cookie Policy Sales Policy
Products are chemical reagents for research use only and are not intended for human use. We do not sell to patients.
Copyright © 2023-present Aladdin Scientific Corp . All rights reserved.