Drug Information
| Drug General Information | |||||
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| Drug ID |
DX5CQY
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| Drug Name |
(S)-3-{(S)-2-[(R)-2-(2-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(4-sulfooxy-phenyl)-propionylamino]-hexanoylamino}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-N-methyl-N-phenethyl-succinamic acid
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| Synonyms |
CHEMBL413186
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C52H70N8O14S
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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)CCc4ccccc4
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| InChI |
InChI=1S/C52H70N8O14S/c1-7-9-19-39(56-48(66)41(59-51(69)73-52(3,4)5)28-34-22-24-36(25-23-34)74-75(70,71)72)46(64)54-32-44(61)55-42(29-35-31-53-38-21-15-14-18-37(35)38)49(67)57-40(20-10-8-2)47(65)58-43(30-45(62)63)50(68)60(6)27-26-33-16-12-11-13-17-33/h11-18,21-25,31,39-43,53H,7-10,19-20,26-30,32H2,1-6H3,(H,54,64)(H,55,61)(H,56,66)(H,57,67)(H,58,65)(H,59,69)(H,62,63)(H,70,71,72)/t39-,40-,41-,42+,43-/m0/s1
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| InChIKey |
GZNVLWNQTMXRBR-QJYIQOTESA-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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