CHEMBL1807873
SMILES | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3Cl)c2s1 |
InChIKey | OOXNTGSMQFBSGF-SFHVURJKSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 5 |
Rotatable bonds | 13 |
Molecular weight (Da) | 499.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.8 | 6.8 | 6.8 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 7.3 | 7.3 | 7.3 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 9.1 | 9.1 | 9.1 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.7 | 5.7 | 5.7 | ChEMBL |