CHEMBL1910385
SMILES | COc1ccc(CN(CCN(C)CC(C)Nc2ccc3[nH]c(C(=O)N4CCN(C)CC4)cc3c2)c2ccccn2)cc1 |
InChIKey | YMLNOWNONRZEDQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 12 |
Molecular weight (Da) | 569.3 |
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 | Guinea pig | Histamine | A | pKd | 7.9 | 7.9 | 7.9 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 6.67 | 6.67 | 6.67 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pKi | 4.85 | 4.85 | 4.85 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |