Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DXE3BN
|
||||
| Drug Name |
CCK7 analogue
|
||||
| Synonyms |
CHEMBL2310857
|
||||
| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C48H62N8O15S2
|
||||
| Canonical SMILES |
CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC)C(=O)N4CC(C[C@H]4C(=O)N[C@@H](Cc5ccccc5)C(=O)N)OS(=O)(=O)O
|
||||
| InChI |
InChI=1S/C48H62N8O15S2/c1-3-5-15-37(52-42(57)23-20-30-18-21-33(22-19-30)70-72(64,65)66)45(60)51-28-43(58)53-40(25-32-27-50-36-17-11-10-14-35(32)36)46(61)54-38(16-6-4-2)48(63)56-29-34(71-73(67,68)69)26-41(56)47(62)55-39(44(49)59)24-31-12-8-7-9-13-31/h7-14,17-19,21-22,27,34,37-41,50H,3-6,15-16,20,23-26,28-29H2,1-2H3,(H2,49,59)(H,51,60)(H,52,57)(H,53,58)(H,54,61)(H,55,62)(H,64,65,66)(H,67,68,69)/t34?,37-,38-,39-,40-,41-/m0/s1
|
||||
| InChIKey |
IHNBBRXFWBWHAP-FNJMPPHBSA-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.