Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DX5DS0
|
||||
| Drug Name |
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(4-chloro-phenyl)-acryloylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-N-methyl-succinamic acid; hydrate
|
||||
| Synonyms |
CHEMBL60385
|
||||
| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C45H54ClN7O9
|
||||
| Canonical SMILES |
CN([C@@H](Cc1ccccc1)C(=O)N)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)\\C=C\\c2ccc(Cl)cc2)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C
|
||||
| InChI |
InChI=1S/C45H54ClN7O9/c1-45(2,3)62-44(61)52-35(25-30-27-49-33-15-9-8-14-32(30)33)42(59)50-34(16-10-11-23-48-38(54)22-19-28-17-20-31(46)21-18-28)41(58)51-36(26-39(55)56)43(60)53(4)37(40(47)57)24-29-12-6-5-7-13-29/h5-9,12-15,17-22,27,34-37,49H,10-11,16,23-26H2,1-4H3,(H2,47,57)(H,48,54)(H,50,59)(H,51,58)(H,52,61)(H,55,56)/b22-19+/t34-,35-,36-,37-/m0/s1
|
||||
| InChIKey |
NGZDIVOPWAXHJL-ZXLOHXMUSA-N
|
||||
| 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 | |||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.