CHEMBL213336
SMILES | Cc1cccc(C)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 |
InChIKey | IYRXIXGRSIJDNI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 473.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.73 | 5.73 | 5.73 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 8.52 | 8.52 | 8.52 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.66 | 8.66 | 8.66 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
D5 | DRD5 | Human | Dopamine | A | pKi | 7.51 | 7.51 | 7.51 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |