Drug Information
| Drug General Information | |||||
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| Drug ID |
DX1XKQ
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| Drug Name |
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(2,4-dimethoxy-phenyl)-acryloylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; hydrate
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| Synonyms |
CHEMBL3144542
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C46H57N7O11
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| Canonical SMILES |
COc1ccc(\\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)c(OC)c1
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| InChI |
InChI=1S/C46H57N7O11/c1-46(2,3)64-45(61)53-36(24-30-27-49-33-16-10-9-15-32(30)33)43(59)50-34(17-11-12-22-48-39(54)21-19-29-18-20-31(62-4)25-38(29)63-5)42(58)52-37(26-40(55)56)44(60)51-35(41(47)57)23-28-13-7-6-8-14-28/h6-10,13-16,18-21,25,27,34-37,49H,11-12,17,22-24,26H2,1-5H3,(H2,47,57)(H,48,54)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,55,56)/b21-19-/t34-,35-,36-,37-/m0/s1
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| InChIKey |
HXFGVEATFYUEFN-GKYJSIIFSA-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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