Drug Information
| Drug General Information | |||||
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| Drug ID |
DX1XQS
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| Drug Name |
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(3,4-dihydroxy-phenyl)-acryloylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; hydrate.AcOH
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| Synonyms |
CHEMBL3144551
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C44H53N7O11
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\\C=C/c3ccc(O)c(O)c3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
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| InChI |
InChI=1S/C44H53N7O11/c1-44(2,3)62-43(61)51-33(23-28-25-47-30-14-8-7-13-29(28)30)41(59)48-31(15-9-10-20-46-37(54)19-17-27-16-18-35(52)36(53)22-27)40(58)50-34(24-38(55)56)42(60)49-32(39(45)57)21-26-11-5-4-6-12-26/h4-8,11-14,16-19,22,25,31-34,47,52-53H,9-10,15,20-21,23-24H2,1-3H3,(H2,45,57)(H,46,54)(H,48,59)(H,49,60)(H,50,58)(H,51,61)(H,55,56)/b19-17-/t31-,32-,33-,34-/m0/s1
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| InChIKey |
BXTKXZUUFDISLZ-XDSWIXQKSA-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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