CHEMBL238401
SMILES | CCN([C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 |
InChIKey | LVRHAAKFXRNPFH-RQNOJGIXSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 10 |
Molecular weight (Da) | 545.3 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.64 | 7.64 | 7.64 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.57 | 8.57 | 8.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |