CHEMBL1269259
| SMILES | CC(C)N(C(=O)CN1C(=O)C(Nc2cccc(C(=O)O)c2)c2nnc(-c3ccccc3)n2-c2ccccc21)c1ccccc1 |
| InChIKey | NDYDWAHMAKSSPE-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 586.2 |
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 |
| CCK1 | CCKAR | Human | Cholecystokinin | A | pIC50 | 7.71 | 7.71 | 7.71 | ChEMBL |
| CCK1 | CCKAR | Human | Cholecystokinin | A | pEC50 | 6.8 | 6.8 | 6.8 | ChEMBL |