Drug Information
| Drug General Information | |||||
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| Drug ID |
DXSI1D
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| Drug Name |
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(2,3-dichloro-phenyl)-ureido]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid
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| Synonyms |
CHEMBL3142691
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C42H50Cl2N8O9
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc3cccc(Cl)c3Cl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
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| InChI |
InChI=1S/C42H50Cl2N8O9/c1-42(2,3)61-41(60)52-32(21-25-23-47-28-16-8-7-14-26(25)28)38(57)48-30(17-9-10-19-46-40(59)51-29-18-11-15-27(43)35(29)44)37(56)50-33(22-34(53)54)39(58)49-31(36(45)55)20-24-12-5-4-6-13-24/h4-8,11-16,18,23,30-33,47H,9-10,17,19-22H2,1-3H3,(H2,45,55)(H,48,57)(H,49,58)(H,50,56)(H,52,60)(H,53,54)(H2,46,51,59)/t30-,31-,32-,33-/m0/s1
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| InChIKey |
NEPCITQVDPCOKI-YRCZKMHPSA-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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