Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DXT4XA
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| Drug Name |
CHEMBL2372623
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| Synonyms |
(3S,6R,9S,12S,15S,18S)-3-((1H-imidazol-5-yl)methyl)-12-((1H-indol-3-yl)methyl)-18-((S)-1-amino-1-oxo-3-phenylpropan-2-ylcarbamoyl)-1-(2-((R)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)-15-butyl-9-(3-guanidinopropyl)-6-(naphthalen-2-ylmethyl)-1,4,7,10,13,16-hexaoxo-2,5,8,11,14,17-hexaazaicosan-20-oic acid
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C76H90N16O12
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc5cnc[nH]5)NC(=O)[C@@H]6Cc7ccccc7CN6C(=O)[C@@H](N)Cc8c(C)cc(O)cc8C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc9ccccc9)C(=O)N
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| InChI |
InChI=1S/C76H90N16O12/c1-4-5-23-58(68(97)90-64(38-66(94)95)73(102)87-60(67(78)96)32-45-16-7-6-8-17-45)85-71(100)62(34-51-39-83-57-24-14-13-22-54(51)57)89-69(98)59(25-15-28-82-76(79)80)86-70(99)61(33-46-26-27-47-18-9-10-19-48(47)31-46)88-72(101)63(36-52-40-81-42-84-52)91-74(103)65-35-49-20-11-12-21-50(49)41-92(65)75(104)56(77)37-55-43(2)29-53(93)30-44(55)3/h6-14,16-22,24,26-27,29-31,39-40,42,56,58-65,83,93H,4-5,15,23,25,28,32-38,41,77H2,1-3H3,(H2,78,96)(H,81,84)(H,85,100)(H,86,99)(H,87,102)(H,88,101)(H,89,98)(H,90,97)(H,91,103)(H,94,95)(H4,79,80,82)/t56-,58-,59-,60-,61+,62-,63-,64-,65-/m0/s1
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| InChIKey |
TVINVHGLLFLSBP-KYFADEEDSA-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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