CHEMBL139722
SMILES | COc1ccccc1N1CCN(CCNC(=O)c2cc3ccccn3n2)CC1 |
InChIKey | LHWCVSFLSQENCZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 379.2 |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.52 | 7.52 | 7.52 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.6 | 6.6 | 6.6 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.28 | 6.29 | 6.32 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |