CHEMBL3746083
SMILES | CC(C)(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2ccc(F)cc2)CC1 |
InChIKey | KIDWAXFQMIFGTA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 9 |
Molecular weight (Da) | 488.3 |
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 |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.28 | 7.28 | 7.28 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.88 | 5.88 | 5.88 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 4.85 | 4.85 | 4.85 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |