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 |