CHEMBL129035
SMILES | COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(/C=C/C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)cc2)CC1 |
InChIKey | ICGNIALTNZWGJF-FLFKKZLDSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 18 |
Molecular weight (Da) | 708.4 |
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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.44 | 8.44 | 8.44 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.14 | 8.14 | 8.14 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |