CHEMBL423735
SMILES | COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccccc23)CC1 |
InChIKey | MPDFDNDIHGRXBJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 407.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | 7.36 | 7.36 | 7.36 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.82 | 5.82 | 5.82 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.85 | 7.85 | 7.85 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.96 | 7.08 | 7.19 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |