CHEMBL1767163
SMILES | CN(CCCCc1ccc(OCCCN2CCCCCC2)cc1)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |
InChIKey | QQERDUJEEYWVED-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 15 |
Molecular weight (Da) | 614.3 |
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 |
H1 | HRH1 | Human | Histamine | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |