Drug Information
| Drug General Information | |||||
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| Drug ID |
DX2NBH
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| Drug Name |
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(3-sulfooxy-phenyl)-propionylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; NH40H.hydrate
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| Synonyms |
CHEMBL3144535
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C44H55N7O13S
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc3cccc(OS(=O)(=O)O)c3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
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| InChI |
InChI=1S/C44H55N7O13S/c1-44(2,3)63-43(59)51-35(24-29-26-47-32-17-8-7-16-31(29)32)41(57)48-33(18-9-10-21-46-37(52)20-19-28-14-11-15-30(22-28)64-65(60,61)62)40(56)50-36(25-38(53)54)42(58)49-34(39(45)55)23-27-12-5-4-6-13-27/h4-8,11-17,22,26,33-36,47H,9-10,18-21,23-25H2,1-3H3,(H2,45,55)(H,46,52)(H,48,57)(H,49,58)(H,50,56)(H,51,59)(H,53,54)(H,60,61,62)/t33-,34-,35-,36-/m0/s1
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| InChIKey |
IQPFMMXTTZBLAA-ZYADHFCISA-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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