CHEMBL117841
SMILES | COc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3 |
InChIKey | HJSGUUPPOBQDHU-OAHLLOKOSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 0 |
Rotatable bonds | 1 |
Molecular weight (Da) | 265.1 |
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 | 6.22 | 6.22 | 6.22 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.29 | 8.29 | 8.29 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Rat | Dopamine | A | pIC50 | 5.49 | 5.49 | 5.49 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 5.67 | 5.67 | 5.67 | ChEMBL |