Drug Information
| Drug General Information | |||||
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| Drug ID |
DXXH1A
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| Drug Name |
3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-carboxy-ethylcarbamoyl]-pentylcarbamoyl}-2-(1H-indol-3-yl)-ethylcarbamoyl]-methyl}-carbamoyl)-pentylcarbamoyl]-2-(4-sulfooxy-phenyl)-ethyl]-succinamic acid
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| Synonyms |
CHEMBL409529
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C53H68N10O17S
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)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)C(=O)N
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| InChI |
InChI=1S/C53H68N10O17S/c1-4-6-16-37(59-50(73)40(62-52(75)42(26-45(66)67)57-30(3)64)24-32-19-21-34(22-20-32)80-81(77,78)79)48(71)56-29-44(65)58-41(25-33-28-55-36-18-12-11-15-35(33)36)51(74)60-38(17-7-5-2)49(72)63-43(27-46(68)69)53(76)61-39(47(54)70)23-31-13-9-8-10-14-31/h8-15,18-22,28,37-43,55H,4-7,16-17,23-27,29H2,1-3H3,(H2,54,70)(H,56,71)(H,57,64)(H,58,65)(H,59,73)(H,60,74)(H,61,76)(H,62,75)(H,63,72)(H,66,67)(H,68,69)(H,77,78,79)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
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| InChIKey |
GDGJOQZLWUKBPK-NKUVHBIJSA-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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