Drug Information
| Drug General Information | |||||
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| Drug ID |
DX3TBM
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| Drug Name |
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[(5-hydroxy-quinoline-3-carbonyl)-amino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; hydrate
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| Synonyms |
CHEMBL292298
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C45H52N8O10
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c3cnc4cccc(O)c4c3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)N
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| InChI |
InChI=1S/C45H52N8O10/c1-45(2,3)63-44(62)53-35(22-27-24-48-31-15-8-7-14-29(27)31)42(60)50-33(16-9-10-19-47-40(58)28-21-30-32(49-25-28)17-11-18-37(30)54)41(59)52-36(23-38(55)56)43(61)51-34(39(46)57)20-26-12-5-4-6-13-26/h4-8,11-15,17-18,21,24-25,33-36,48,54H,9-10,16,19-20,22-23H2,1-3H3,(H2,46,57)(H,47,58)(H,50,60)(H,51,61)(H,52,59)(H,53,62)(H,55,56)/t33-,34-,35-,36-/m0/s1
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| InChIKey |
DDUAFEYIPWOELY-ZYADHFCISA-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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