ID: ALA4212172
PubChem CID: 145965063
Max Phase: Preclinical
Molecular Formula: C121H179N35O40S6
Molecular Weight: 2956.37
Molecule Type: Unknown
Associated Items:
Canonical SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]4CSSC[C@H](NC(=O)CNC(=O)[C@@H]5CCCN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N4)NC(=O)[C@H]([C@@H](C)O)NC(=O)NNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC3=O)C(=O)N[C@@H](CO)C(=O)N2
Standard InChI: InChI=1S/C121H179N35O40S6/c1-12-55(6)90-112(188)142-78-52-202-200-50-76-105(181)136-68(39-82(122)163)101(177)150-95(60(11)162)119(195)156-35-19-27-79(156)108(184)130-44-85(166)133-74-48-198-197-47-73(141-111(187)89(54(4)5)145-109(185)80-28-20-33-154(80)117(193)70(36-53(2)3)132-84(165)43-127-97(173)69(40-88(170)171)137-99(175)65(26-18-32-125-120(123)124)134-113(189)91(56(7)158)148-107(78)183)98(174)128-42-83(164)131-66(30-31-87(168)169)100(176)147-93(58(9)160)115(191)143-75(104(180)135-67(37-61-22-14-13-15-23-61)96(172)129-45-86(167)152-153-121(196)151-94(59(10)161)116(192)144-76)49-199-201-51-77(140-102(178)72(46-157)139-103(74)179)106(182)149-92(57(8)159)114(190)138-71(38-62-41-126-64-25-17-16-24-63(62)64)118(194)155-34-21-29-81(155)110(186)146-90/h13-17,22-25,41,53-60,65-81,89-95,126,157-162H,12,18-21,26-40,42-52H2,1-11H3,(H2,122,163)(H,127,173)(H,128,174)(H,129,172)(H,130,184)(H,131,164)(H,132,165)(H,133,166)(H,134,189)(H,135,180)(H,136,181)(H,137,175)(H,138,190)(H,139,179)(H,140,178)(H,141,187)(H,142,188)(H,143,191)(H,144,192)(H,145,185)(H,146,186)(H,147,176)(H,148,183)(H,149,182)(H,150,177)(H,152,167)(H,168,169)(H,170,171)(H4,123,124,125)(H2,151,153,196)/t55-,56+,57+,58+,59+,60+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,89-,90-,91-,92-,93-,94-,95-/m0/s1
Standard InChI Key: SPBQWPNWAILVAA-WRYUWNBUSA-N
Molfile:
RDKit 2D
202211 0 0 0 0 0 0 0 0999 V2000
16.2030 -25.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6774 -13.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6722 -13.0441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9724 -14.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9230 -25.0849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
18.4432 -5.3132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
21.7885 -17.3443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9724 -15.1043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.5828 -7.7985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
17.7383 -5.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4929 -25.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.4734 -16.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.3383 -9.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5828 -6.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3030 -6.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4071 -19.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1586 -10.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.2786 -17.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.5981 -6.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3974 -20.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7729 -25.4800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6872 -18.8245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
20.2234 -7.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.4188 -17.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1580 -9.4437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.8681 -8.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.2035 -9.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0183 -5.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2471 -15.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7129 -11.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3528 -25.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9972 -17.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1529 -10.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.6430 -25.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.8983 -8.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8630 -9.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0577 -25.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6923 -17.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.6585 -16.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3081 -4.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.6285 -25.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7129 -12.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.5835 -11.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0923 -20.4797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.4329 -10.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.5937 -17.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.2732 -5.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.7088 -17.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0027 -13.1289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
20.7334 -7.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2720 -16.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9183 -25.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.3785 -13.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4324 -12.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1374 -13.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.8784 -13.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1876 -25.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9128 -25.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.2231 -3.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5421 -16.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.2036 -13.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.3431 -25.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0183 -4.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.3036 -8.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.2685 -10.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0975 -21.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2776 -12.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.8585 -15.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.7833 -25.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5482 -4.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5127 -22.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8320 -16.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.5088 -13.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0432 -9.6987 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
13.3625 -23.8301 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
14.1379 -12.7290 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
21.9333 -23.9001 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.1223 -17.9994 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
16.3030 -9.0286 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
14.9929 -3.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4071 -14.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.9933 -15.9194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.7383 -6.5634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.6481 -23.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4929 -24.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.6686 -9.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.0130 -6.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1125 -18.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.1330 -6.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.2688 -16.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
26.1139 -17.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.5332 -8.5235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.2030 -26.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1580 -7.7935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.6982 -9.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0027 -11.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3377 -26.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2720 -17.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.8630 -10.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5371 -15.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.6233 -26.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.4085 -11.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.1583 -17.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9128 -26.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2472 -13.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9085 -26.3700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1374 -13.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4873 -25.4600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.1935 -14.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4123 -17.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0680 -24.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5828 -9.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.3431 -8.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4277 -13.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.6285 -24.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.8184 -10.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8728 -6.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.5533 -14.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.4934 -25.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5676 -13.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6824 -20.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5076 -23.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.7833 -24.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.6836 -15.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2776 -11.8939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3974 -21.7199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2276 -22.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8170 -15.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
24.3337 -14.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8025 -21.7199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
16.9382 -22.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.3532 -24.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1222 -12.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.3431 -4.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.3484 -18.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.6937 -16.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.5583 -7.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.6481 -23.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7227 -10.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1876 -26.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.6486 -18.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.6534 -4.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3424 -11.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5372 -11.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0933 -4.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.8784 -18.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2980 -5.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3384 -16.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.7836 -10.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1979 -3.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9784 -8.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9231 -26.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2472 -13.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.0585 -6.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.1431 -11.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8630 -5.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9724 -20.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.9685 -15.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.4038 -15.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.8634 -7.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4625 -26.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1876 -27.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.4837 -9.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0332 -16.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.8331 -17.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7434 -5.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4881 -5.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9330 -4.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4625 -27.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7524 -26.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7524 -27.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0642 -12.7410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9879 -16.7494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
21.0621 -13.6397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
19.4058 -7.6432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4749 -24.6191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.6357 -25.0624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8057 -22.5448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
20.4152 -6.3422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
24.9836 -8.6101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
22.2906 -12.3706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
23.7969 -8.9773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
16.3025 -5.7236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
23.9787 -7.5665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
21.4586 -10.8139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1218 -16.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
20.0182 -9.1785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
23.0035 -14.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.3502 -15.6941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
18.3733 -22.6199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.3438 -25.5550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.4780 -26.7302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.0576 -25.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5371 -14.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
24.0038 -17.4844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.1627 -6.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.4155 -3.0846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
19.0033 -10.4687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.4329 -11.5039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6722 -21.2947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.2029 -25.9560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.7227 -9.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
26 36 1 0
35 27 1 6
199 45 1 0
28183 1 0
173 32 1 0
29 51 1 0
30199 1 0
31 37 1 0
32 38 1 0
177 31 1 0
181 53 1 0
185 17 1 0
33 25 1 0
34 5 1 0
35175 1 0
36112 1 0
37 21 1 6
38 22 1 6
39 12 1 0
40 63 1 0
41 52 1 6
42 30 1 0
43181 1 0
44 66 1 0
45 33 1 0
46 18 1 6
47 6 1 0
48 24 1 0
42 49 1 6
50179 1 0
51173 1 0
189 39 1 0
52201 1 0
53 56 1 0
54 55 1 1
55172 1 0
193 62 1 0
56174 1 0
57 58 1 0
58177 1 0
197 59 1 0
201119 1 0
172120 1 0
174118 1 0
176 57 1 0
59 40 2 0
51 60 1 1
53 61 1 1
62 34 1 0
28 63 1 1
64182 1 0
65 43 1 0
66130 1 0
67 49 1 0
68189 1 0
69193 1 0
70 40 1 0
178 71 1 0
71122 1 0
72 60 1 0
73 61 1 0
74 78 1 0
75111 1 0
76 77 1 0
77115 1 0
78110 1 0
79 75 1 0
80 70 2 0
81 2 2 0
180 64 2 0
82 12 2 0
83 10 2 0
84138 1 0
85 11 2 0
86 17 2 0
87 15 2 0
88 16 2 0
89 19 2 0
90 18 2 0
91 24 2 0
92 23 2 0
93 1 1 0
94 26 2 0
95 27 2 0
96 30 2 0
97 31 2 0
98 32 2 0
99 33 2 0
100 29 2 0
101 34 2 0
102 43 2 0
39103 1 6
58104 1 1
105 4 1 0
106 52 2 0
107 55 2 0
108 57 2 0
109 56 2 0
110 38 1 0
111 37 1 0
112 79 1 0
113 74 1 0
114 76 1 0
115 41 1 0
116 13 1 0
117 14 1 0
118 68 1 0
119 69 1 0
120 67 1 0
121 20 1 0
122176 1 0
123 69 2 0
124 68 2 0
125 67 2 0
126 66 2 0
127 71 2 0
128 72 2 0
129 73 2 0
130178 1 0
131 84 2 0
62132 1 6
182151 1 0
184 64 1 0
133 3 1 0
134 6 1 0
135 7 1 0
48136 1 1
137 50 1 0
186 72 1 0
138132 1 0
188 73 1 0
190 84 1 0
45139 1 1
140104 1 0
141 46 1 0
142 47 1 0
93192 1 1
105194 1 6
143 54 1 0
117196 1 6
116198 1 1
121200 1 6
202139 1 0
144143 1 0
145134 1 0
146141 1 0
147 70 1 0
148103 1 0
65149 1 1
150 80 1 0
151163 1 0
152 93 1 0
153105 1 0
154137 1 0
155116 1 0
156117 1 0
157121 1 0
158136 1 0
159136 1 0
137160 1 6
161140 2 0
162140 1 0
163149 1 0
164148 1 0
165148 1 0
166154 1 0
167147 2 0
168167 1 0
169162 2 0
170161 1 0
171169 1 0
170171 2 0
114 42 1 0
146135 1 0
197 80 1 0
142145 1 0
168150 2 0
144133 1 0
113 35 1 0
4 8 1 1
185 65 1 0
2 3 1 0
3 54 1 0
4 2 1 0
1 5 1 1
6 10 1 0
7 46 1 0
8 29 1 0
187 27 1 0
9 26 1 0
10 28 1 0
11 1 1 0
12 7 1 0
179 19 1 0
195 48 1 0
13187 1 0
14 9 1 1
15 14 1 0
16 20 1 0
13 17 1 6
18195 1 0
47 19 1 1
20 44 1 1
21 11 1 0
22 16 1 0
50 23 1 1
24191 1 0
175 23 1 0
183 15 1 0
191 41 1 0
36 25 1 6
M END| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 2956.37 | Molecular Weight (Monoisotopic): 2954.1373 | 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: ┄ |
| 1. Camarero JA.. (2017) Cyclotides, a versatile ultrastable micro-protein scaffold for biotechnological applications., 27 (23): [PMID:29110985] [10.1016/j.bmcl.2017.10.051] |
Source(1):