CHEMBL423499
SMILES | c1ccc(N2CCN(CC[C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)nc1 |
InChIKey | WKRNNVUISXJKDT-MEMLXQNLSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 388.3 |
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 |
D2 | DRD2 | Rat | Dopamine | A | pKi | 7.3 | 7.95 | 8.59 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.14 | 7.14 | 7.14 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.54 | 7.54 | 7.54 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 8.55 | 8.55 | 8.55 | ChEMBL |