CHEMBL1255588
SMILES | CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1 |
InChIKey | ZZJYIKPMDIWRSN-TZBSWOFLSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 0 |
Molecular weight (Da) | 361.2 |
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 | 8.74 | 8.74 | 8.74 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 8.44 | 8.95 | 9.52 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.73 | 6.73 | 6.73 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 8.55 | 8.55 | 8.55 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.19 | 8.8 | 9.37 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.54 | 9.03 | 9.43 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.53 | 8.53 | 8.53 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 7.92 | 7.92 | 7.92 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 8.0 | 8.46 | 8.92 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 7.82 | 8.23 | 8.85 | ChEMBL |