CHEMBL106737
SMILES | COc1ccccc1N1CCN(CC2CN=C3c4ccccc4NC(=O)N32)CC1 |
InChIKey | FUCGAUZSWYLMRK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 391.2 |
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 | Rat | Adrenoceptors | A | pKi | 9.17 | 9.17 | 9.17 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 9.59 | 9.59 | 9.59 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.81 | 6.81 | 6.81 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.62 | 6.71 | 6.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |