CHEMBL5315265
SMILES | CCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |
InChIKey | KGNWCYQCPGINGS-HXUWFJFHSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 452.2 |
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 | 7.8 | 7.8 | 7.8 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 9.2 | 9.2 | 9.2 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKd | 9.6 | 9.6 | 9.6 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |