Chembl282646
Chemical Properties
| SMILES | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 |
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 16 |
| Molecular weight | 773.4 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | HTOJUIVQXWRKOG-UHFFFAOYSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CCK1 | CCKAR | Mouse | Cholecystokinin | A | pIC50 | 4.82 | 4.82 | 4.82 | ChEMBL |
| H2 | HRH2 | Rat | Histamine | A | pKd | 6.3 | 6.3 | 6.3 | ChEMBL |
| CCK2 | GASR | Mouse | Cholecystokinin | A | pIC50 | 6.12 | 6.12 | 6.12 | ChEMBL |
| CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 6.7 | 6.7 | 6.7 | ChEMBL |