CHEMBL4117079
SMILES | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |
InChIKey | JJKMOFKIYHXREY-JOCHJYFZSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 11 |
Molecular weight (Da) | 496.2 |
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 |
H1 | HRH1 | Guinea pig | Histamine | A | pKd | 8.7 | 8.7 | 8.7 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKd | 5.1 | 5.1 | 5.1 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKd | 8.2 | 9.05 | 9.74 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 8.5 | 8.5 | 8.5 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |