CHEMBL256041
SMILES | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 |
InChIKey | QJFXDZVKRFQGQF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 468.3 |
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 | 6.15 | 6.66 | 7.16 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.21 | 7.52 | 7.82 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.09 | 7.53 | 7.96 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.74 | 6.83 | 6.92 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.09 | 7.52 | 7.96 | PDSP Ki database |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.15 | 6.66 | 7.16 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.74 | 6.83 | 6.92 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |