CHEMBL5315342
SMILES | COCCCC(=O)N(C)CCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |
InChIKey | AMOACTSTZUXXDX-HSZRJFAPSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 11 |
Molecular weight (Da) | 510.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.9 | 6.9 | 6.9 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 8.5 | 8.5 | 8.5 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKd | 10.0 | 10.0 | 10.0 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.5 | 7.5 | 7.5 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |