CHEMBL123852
SMILES | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1cc(Cl)cc(Cl)c1 |
InChIKey | QUKRFPQSAGJATM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 8 |
Molecular weight (Da) | 402.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCK2 | GASR | Rat | Cholecystokinin | A | pIC50 | 5.44 | 5.44 | 5.44 | ChEMBL |
CCK1 | CCKAR | Rat | Cholecystokinin | A | pIC50 | 4.13 | 4.13 | 4.13 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 5.7 | 5.7 | 5.7 | ChEMBL |