Drug Information
| Drug General Information | |||||
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| Drug ID |
DXIA4Y
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| Drug Name |
3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-carboxy-ethylcarbamoyl]-pentylcarbamoyl}-2-(1H-indol-3-yl)-ethylcarbamoyl]-methyl}-methyl-carbamoyl)-pentylcarbamoyl]-2-(4-sulfooxy-phenyl)-ethyl]-succinamic acid
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| Synonyms |
CHEMBL386682
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C54H70N10O17S
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)C(=O)[C@H](CCCC)NC(=O)[C@H](Cc3ccc(OS(=O)(=O)O)cc3)NC(=O)[C@H](CC(=O)O)NC(=O)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
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| InChI |
InChI=1S/C54H70N10O17S/c1-5-7-17-38(49(72)63-44(28-47(69)70)53(76)61-40(48(55)71)24-32-14-10-9-11-15-32)59-51(74)42(26-34-29-56-37-19-13-12-16-36(34)37)58-45(66)30-64(4)54(77)39(18-8-6-2)60-50(73)41(62-52(75)43(27-46(67)68)57-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,65)(H,58,66)(H,59,74)(H,60,73)(H,61,76)(H,62,75)(H,63,72)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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| InChIKey |
WJUUWVNFYPKNAN-VLOLPVCOSA-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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