CHEMBL1802360
SMILES | O=c1[nH]c2ccccc2n1C1CCN(CCCOc2ccc(F)cc2)CC1 |
InChIKey | VNSQNNPGGZXQAN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 369.2 |
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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.9 | 8.9 | 8.9 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.5 | 8.5 | 8.5 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pEC50 | 5.8 | 5.8 | 5.8 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pEC50 | 6.4 | 6.4 | 6.4 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 7.3 | 7.3 | 7.3 | ChEMBL |