Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DX1RTT
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| Drug Name |
CHEMBL1172246
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| Synonyms |
(S)-3-((3S,6S,9S,12S,18R,26S)-12-((1H-imidazol-5-yl)methyl)-3-((1H-indol-2-yl)methyl)-18-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-9-(4-chlorobenzyl)-6-(3-guanidinopropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,21-heptaazacyclohexacosane-26-carboxamido)-4-((R)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-4-oxobutanoic acid
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C66H81ClN18O14
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| Canonical SMILES |
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]2CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc3cc4ccccc4[nH]3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc5ccc(Cl)cc5)NC(=O)[C@H](Cc6cnc[nH]6)NC(=O)CNC2=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc7ccccc7)C(=O)N
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| InChI |
InChI=1S/C66H81ClN18O14/c67-40-19-15-38(16-20-40)27-49-62(96)80-47(14-8-24-74-66(70)71)61(95)84-51(29-41-28-39-11-4-5-12-45(39)77-41)64(98)79-46(60(94)85-53(32-56(89)90)65(99)81-48(57(69)91)26-36-9-2-1-3-10-36)13-6-7-23-73-54(87)31-52(82-58(92)44(68)25-37-17-21-43(86)22-18-37)59(93)75-34-55(88)78-50(63(97)83-49)30-42-33-72-35-76-42/h1-5,9-12,15-22,28,33,35,44,46-53,77,86H,6-8,13-14,23-27,29-32,34,68H2,(H2,69,91)(H,72,76)(H,73,87)(H,75,93)(H,78,88)(H,79,98)(H,80,96)(H,81,99)(H,82,92)(H,83,97)(H,84,95)(H,85,94)(H,89,90)(H4,70,71,74)/t44-,46-,47-,48+,49-,50-,51-,52+,53-/m0/s1
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| InChIKey |
YCEIOOXEUSAMIZ-RUJSPISNSA-N
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| Target and Pathway | |||||
| Target(s) | Gastrin/cholecystokinin type B receptor | Target Info | [1587926] | ||
| Cholecystokinin receptor type A | Target Info | [1587926] | |||
| PANTHER Pathway | CCKR signaling map ST | ||||
| PathWhiz Pathway | Gastric Acid Production | ||||
| References | |||||
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