Drug Information
| Drug General Information | |||||
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| Drug ID |
DX1CXZ
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| Drug Name |
3-tert-Butoxycarbonylamino-N-[1-[1-({[1-{1-[2-carboxy-1-(3-phenyl-propionylamino)-ethylcarbamoyl]-pentylcarbamoyl}-2-(1H-indol-3-yl)-ethylcarbamoyl]-methyl}-carbamoyl)-pentylcarbamoyl]-2-(4-sulfooxy-phenyl)-ethyl]-succinamic acid
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| Synonyms |
CHEMBL1160486
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C55H73N9O17S
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)C(CC(=O)O)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)NC(=O)CCc4ccccc4
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| InChI |
InChI=1S/C55H73N9O17S/c1-6-8-18-39(59-51(73)41(27-34-21-24-36(25-22-34)81-82(77,78)79)61-53(75)43(29-47(67)68)62-54(76)80-55(3,4)5)49(71)57-32-46(66)58-42(28-35-31-56-38-20-14-13-17-37(35)38)52(74)60-40(19-9-7-2)50(72)64-44(30-48(69)70)63-45(65)26-23-33-15-11-10-12-16-33/h10-17,20-22,24-25,31,39-44,56H,6-9,18-19,23,26-30,32H2,1-5H3,(H,57,71)(H,58,66)(H,59,73)(H,60,74)(H,61,75)(H,62,76)(H,63,65)(H,64,72)(H,67,68)(H,69,70)(H,77,78,79)/t39-,40-,41-,42+,43?,44+/m0/s1
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| InChIKey |
XWNQRVQSRVNMGY-FHMJJDFMSA-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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