CHEMBL1944689
SMILES | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1 |
InChIKey | GVRKTUGZYSOYMQ-QHCPKHFHSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 5 |
Rotatable bonds | 11 |
Molecular weight (Da) | 531.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 7.1 | 7.1 | 7.1 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 9.5 | 9.5 | 9.5 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 8.4 | 8.4 | 8.4 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.4 | 6.4 | 6.4 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |