Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DX1WYU
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| Drug Name |
3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-(3-thiophen-2-yl-acryloylamino)-hexanoylamino]-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; hydrate
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| Synonyms |
CHEMBL292490
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C42H51N7O9S
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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\\c3cccs3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
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| InChI |
InChI=1S/C42H51N7O9S/c1-42(2,3)58-41(57)49-33(23-27-25-45-30-16-8-7-15-29(27)30)39(55)46-31(17-9-10-20-44-35(50)19-18-28-14-11-21-59-28)38(54)48-34(24-36(51)52)40(56)47-32(37(43)53)22-26-12-5-4-6-13-26/h4-8,11-16,18-19,21,25,31-34,45H,9-10,17,20,22-24H2,1-3H3,(H2,43,53)(H,44,50)(H,46,55)(H,47,56)(H,48,54)(H,49,57)(H,51,52)/b19-18+/t31-,32-,33-,34-/m0/s1
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| InChIKey |
SPJCSYUKRLKAQT-DHYJGJBJSA-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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