CHEMBL256040
SMILES | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 |
InChIKey | IEMSLTPIYQZIGD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 538.2 |
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 |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.6 | 8.02 | 8.43 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.29 | 7.74 | 8.19 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.99 | 7.59 | 8.19 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.29 | 7.88 | 8.43 | PDSP Ki database |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.32 | 6.63 | 6.95 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.99 | 7.59 | 8.19 | PDSP Ki database |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.32 | 6.63 | 6.95 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |