Drug Information
| Drug General Information | |||||
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| Drug ID |
DX5UBT
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| Drug Name |
2-(3-{5-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-5-[1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-carboxy-ethylcarbamoyl]-pentyl}-ureido)-benzoic acid methyl ester
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| Synonyms |
CHEMBL3142906
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C44H54N8O11
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| Canonical SMILES |
COC(=O)c1ccccc1NC(=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
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| InChI |
InChI=1S/C44H54N8O11/c1-44(2,3)63-43(61)52-34(23-27-25-47-30-18-10-8-16-28(27)30)39(57)48-32(20-12-13-21-46-42(60)51-31-19-11-9-17-29(31)41(59)62-4)38(56)50-35(24-36(53)54)40(58)49-33(37(45)55)22-26-14-6-5-7-15-26/h5-11,14-19,25,32-35,47H,12-13,20-24H2,1-4H3,(H2,45,55)(H,48,57)(H,49,58)(H,50,56)(H,52,61)(H,53,54)(H2,46,51,60)/t32-,33-,34-,35-/m0/s1
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| InChIKey |
VPUXVVVESQSCDH-BBACVFHCSA-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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