CHEMBL27559
SMILES | CCCN1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3 |
InChIKey | WZJSIHGOLMMBAL-MRXNPFEDSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 279.2 |
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 |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.96 | 6.19 | 6.36 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.85 | 7.74 | 9.05 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.37 | 6.36 | 7.35 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.77 | 7.34 | 8.92 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.94 | 6.94 | 6.94 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.35 | 7.35 | 7.35 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.94 | 7.42 | 7.9 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |