CHEMBL3680107
SMILES | COCC(=O)N1CCC2(CC1)CCN(c1ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc1C(F)(F)F)C2=O |
InChIKey | VYZYLRONQXAQQK-FPOVZHCZSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 522.3 |
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 |
H3 | Q865E1 | Rhesus macaque | Histamine | A | pKi | 6.71 | 6.71 | 6.71 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |