CHEMBL241973
SMILES | COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccccn3)cc2)CC1 |
InChIKey | BQTAJAHHYFXDDH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 444.3 |
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 |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.13 | 6.13 | 6.13 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.4 | 9.4 | 9.4 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.64 | 6.64 | 6.64 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.55 | 7.55 | 7.55 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 8.54 | 8.54 | 8.54 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.94 | 6.94 | 6.94 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.97 | 6.97 | 6.97 | ChEMBL |