Drug Information
| Drug General Information | |||||
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| Drug ID |
DX6BDE
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| Drug Name |
3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-(3-p-tolyl-acryloylamino)-hexanoylamino]-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; hydrate
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| Synonyms |
CHEMBL3144563
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C45H55N7O9
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| Canonical SMILES |
Cc1ccc(\\C=C/C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)cc1
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| InChI |
InChI=1S/C45H55N7O9/c1-28-17-19-29(20-18-28)21-22-38(53)47-23-11-10-16-34(41(57)51-37(26-39(54)55)43(59)50-35(40(46)56)24-30-12-6-5-7-13-30)49-42(58)36(52-44(60)61-45(2,3)4)25-31-27-48-33-15-9-8-14-32(31)33/h5-9,12-15,17-22,27,34-37,48H,10-11,16,23-26H2,1-4H3,(H2,46,56)(H,47,53)(H,49,58)(H,50,59)(H,51,57)(H,52,60)(H,54,55)/b22-21-/t34-,35-,36-,37-/m0/s1
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| InChIKey |
JKCRLBNQUWLIAN-CTPHWAPZSA-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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