CHEMBL199091
| SMILES | O=C(O)c1cccc(NC(=O)c2[nH]c(C34CCC(CC3)CC4)nc2CCC23CC4CC(CC(C4)C2)C3)c1 |
| InChIKey | BXSYWNFICYSSKM-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 501.3 |
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 |
| CCK2 | GASR | Rat | Cholecystokinin | A | pKd | 8.61 | 8.61 | 8.61 | ChEMBL |
| CCK2 | GASR | Mouse | Cholecystokinin | A | pKi | 7.69 | 7.69 | 7.69 | ChEMBL |
| CCK1 | CCKAR | Guinea pig | Cholecystokinin | A | pKi | 6.49 | 6.49 | 6.49 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |