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, NLe21,38,Aib22] h/r CRF12-41)

ID: ALA2370286

PubChem CID: 73350070

Max Phase: Preclinical

Molecular Formula: C172H290N52O48

Molecular Weight: 3854.53

Molecule Type: Unknown

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@H](CCC(=O)O)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)NC[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/C172H290N52O48/c1-26-30-42-101(200-152(255)111(52-59-130(234)235)209-159(262)118(70-87(13)14)218-167(270)133(89(17)18)221-154(257)112(53-60-131(236)237)207-148(251)106(47-39-65-190-172(184)185)203-158(261)116(68-85(9)10)214-160(263)117(69-86(11)12)215-162(265)122(74-99-78-187-82-193-99)216-161(264)120(72-97-40-33-32-34-41-97)219-169(272)136(96(25)227)224-165(268)119(71-88(15)16)211-142(245)100(174)79-225)143(246)191-76-92(21)138(241)197-104(45-37-63-188-170(180)181)144(247)194-93(22)139(242)199-110(51-58-129(232)233)151(254)206-109(50-57-127(177)230)153(256)212-114(66-83(5)6)156(259)196-94(23)140(243)198-108(49-56-126(176)229)150(253)205-107(48-55-125(175)228)145(248)195-95(24)141(244)210-121(73-98-77-186-81-192-98)163(266)220-124(80-226)166(269)217-123(75-128(178)231)164(267)204-105(46-38-64-189-171(182)183)147(250)201-103(44-35-36-62-173)149(252)213-115(67-84(7)8)157(260)202-102(43-31-27-2)146(249)208-113(54-61-132(238)239)155(258)223-135(91(20)29-4)168(271)222-134(137(179)240)90(19)28-3/h32-34,40-41,77-78,81-96,100-124,133-136,225-227H,26-31,35-39,42-76,79-80,173-174H2,1-25H3,(H2,175,228)(H2,176,229)(H2,177,230)(H2,178,231)(H2,179,240)(H,186,192)(H,187,193)(H,191,246)(H,194,247)(H,195,248)(H,196,259)(H,197,241)(H,198,243)(H,199,242)(H,200,255)(H,201,250)(H,202,260)(H,203,261)(H,204,267)(H,205,253)(H,206,254)(H,207,251)(H,208,249)(H,209,262)(H,210,244)(H,211,245)(H,212,256)(H,213,252)(H,214,263)(H,215,265)(H,216,264)(H,217,269)(H,218,270)(H,219,272)(H,220,266)(H,221,257)(H,222,271)(H,223,258)(H,224,268)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H4,180,181,188)(H4,182,183,189)(H4,184,185,190)/t90-,91-,92-,93-,94-,95-,96+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121-,122-,123-,124-,133-,134-,135-,136-/m0/s1

Standard InChI Key: FDVKDNQTHUSGPP-MIMJVQNPSA-N

Molfile:

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M  END

Associated Targets(non-human)

Crhr2 Corticotropin releasing factor receptor (165 Activities)

Discover Target: Crhr2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Unknown	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 3854.53	Molecular Weight (Monoisotopic): 3852.1850	AlogP: ┄	#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: ┄

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, NLe21,38,Aib22] h/r CRF12-41)

Names and Identifiers

Alternative Forms

Associated Targets(non-human)

Molecule Features

Drug Indications

Mechanisms of Action

Calculated Properties

References

Source