Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DX3UPQ
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| Drug Name |
3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-(3-pyridin-3-yl-acryloylamino)-hexanoylamino]-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; hydrate
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| Synonyms |
CHEMBL413548
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C43H52N8O9
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\\C=C\\c3cccnc3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
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| InChI |
InChI=1S/C43H52N8O9/c1-43(2,3)60-42(59)51-34(23-29-26-47-31-16-8-7-15-30(29)31)40(57)48-32(17-9-10-21-46-36(52)19-18-28-14-11-20-45-25-28)39(56)50-35(24-37(53)54)41(58)49-33(38(44)55)22-27-12-5-4-6-13-27/h4-8,11-16,18-20,25-26,32-35,47H,9-10,17,21-24H2,1-3H3,(H2,44,55)(H,46,52)(H,48,57)(H,49,58)(H,50,56)(H,51,59)(H,53,54)/b19-18+/t32-,33-,34-,35-/m0/s1
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| InChIKey |
XQSCLQLQGFXSLK-JMSAZLJDSA-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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