Drug Information
| Drug General Information | |||||
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| Drug ID |
DX5BLS
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| Drug Name |
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(4-dimethylamino-phenyl)-acryloylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; hydrate
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| Synonyms |
CHEMBL3144561
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C46H58N8O9
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| Canonical SMILES |
CN(C)c1ccc(\\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/C46H58N8O9/c1-46(2,3)63-45(62)53-37(26-31-28-49-34-16-10-9-15-33(31)34)43(60)50-35(17-11-12-24-48-39(55)23-20-29-18-21-32(22-19-29)54(4)5)42(59)52-38(27-40(56)57)44(61)51-36(41(47)58)25-30-13-7-6-8-14-30/h6-10,13-16,18-23,28,35-38,49H,11-12,17,24-27H2,1-5H3,(H2,47,58)(H,48,55)(H,50,60)(H,51,61)(H,52,59)(H,53,62)(H,56,57)/b23-20-/t35-,36-,37-,38-/m0/s1
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| InChIKey |
SFZHEZBBFWRDMN-ZNIVNXLTSA-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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