Drug Information
| Drug General Information | |||||
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| Drug ID |
DX4JON
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| Drug Name |
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(4-trifluoromethyl-phenyl)-acryloylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; hydrate
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| Synonyms |
CHEMBL3144552
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C45H52F3N7O9
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\\C=C/c3ccc(cc3)C(F)(F)F)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
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| InChI |
InChI=1S/C45H52F3N7O9/c1-44(2,3)64-43(63)55-35(24-29-26-51-32-14-8-7-13-31(29)32)41(61)52-33(15-9-10-22-50-37(56)21-18-27-16-19-30(20-17-27)45(46,47)48)40(60)54-36(25-38(57)58)42(62)53-34(39(49)59)23-28-11-5-4-6-12-28/h4-8,11-14,16-21,26,33-36,51H,9-10,15,22-25H2,1-3H3,(H2,49,59)(H,50,56)(H,52,61)(H,53,62)(H,54,60)(H,55,63)(H,57,58)/b21-18-/t33-,34-,35-,36-/m0/s1
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| InChIKey |
QDPAGJFIFTZCCI-HQJAZGTDSA-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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