Drug Information
| Drug General Information | |||||
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| Drug ID |
DX6WI2
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| Drug Name |
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[(6-sulfo-naphthalene-2-carbonyl)-amino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid.NH4OH; hydrate
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| Synonyms |
CHEMBL62345
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C46H53N7O13S
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c3ccc4cc(OS(=O)(=O)O)ccc4c3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)N
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| InChI |
InChI=1S/C46H53N7O13S/c1-46(2,3)65-45(61)53-37(24-31-26-49-34-14-8-7-13-33(31)34)43(59)50-35(42(58)52-38(25-39(54)55)44(60)51-36(40(47)56)21-27-11-5-4-6-12-27)15-9-10-20-48-41(57)30-17-16-29-23-32(66-67(62,63)64)19-18-28(29)22-30/h4-8,11-14,16-19,22-23,26,35-38,49H,9-10,15,20-21,24-25H2,1-3H3,(H2,47,56)(H,48,57)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,54,55)(H,62,63,64)/t35-,36-,37-,38-/m0/s1
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| InChIKey |
ZKCCHRIGDWWTRL-ZQWQDMLBSA-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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