CHEMBL2112778
SMILES | COc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1 |
InChIKey | SHEZXZSIBXLQMP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 351.2 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.28 | 7.28 | 7.28 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.93 | 6.93 | 6.93 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.66 | 5.66 | 5.66 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.48 | 7.48 | 7.48 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.09 | 8.32 | 10.55 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 9.7 | 9.7 | 9.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |