CHEMBL274491
SMILES | CNc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1Cl |
InChIKey | KRVOJOCLBAAKSJ-KSSFIOAISA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 387.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | D2 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 9.92 | 9.92 | 9.92 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
D4 | DRD4 | Human | Dopamine | A | pKd | 8.01 | 8.01 | 8.01 | Drug Central |
D2 | DRD2 | Rat | Dopamine | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 9.31 | 9.31 | 9.31 | ChEMBL |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.14 | 8.14 | 8.14 | Drug Central |
α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.2 | 8.2 | 8.2 | Drug Central |