Drug Information
| Drug General Information | |||||
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| Drug ID |
DXH8JA
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| Drug Name |
3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sulfooxy-phenyl)-propionylamino]-hexanoylamino}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-N-(1-formylamino-2-phenyl-ethyl)-succinamic acid
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| Synonyms |
CHEMBL1160488
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C52H69N9O15S
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)NC=O
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| InChI |
InChI=1S/C52H69N9O15S/c1-6-8-18-38(57-48(68)40(60-51(71)75-52(3,4)5)25-33-21-23-35(24-22-33)76-77(72,73)74)46(66)54-30-44(63)56-41(27-34-29-53-37-20-14-13-17-36(34)37)49(69)58-39(19-9-7-2)47(67)59-42(28-45(64)65)50(70)61-43(55-31-62)26-32-15-11-10-12-16-32/h10-17,20-24,29,31,38-43,53H,6-9,18-19,25-28,30H2,1-5H3,(H,54,66)(H,55,62)(H,56,63)(H,57,68)(H,58,69)(H,59,67)(H,60,71)(H,61,70)(H,64,65)(H,72,73,74)/t38-,39-,40-,41+,42-,43-/m0/s1
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| InChIKey |
VNIAHKVXCCCDOZ-HWJCUWIDSA-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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