CHEMBL84931
SMILES | CN(C)CC1CC2c3ccccc3Cc3ccc(F)cc3N2O1 |
InChIKey | MSQRTETUBFIHMP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 2 |
Molecular weight (Da) | 312.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pIC50 | 6.52 | 6.52 | 6.52 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.93 | 5.93 | 5.93 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pIC50 | 8.59 | 8.59 | 8.59 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 7.84 | 7.84 | 7.84 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 7.35 | 7.35 | 7.35 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.3 | 6.3 | 6.3 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 8.94 | 8.94 | 8.94 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 7.85 | 7.85 | 7.85 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.94 | 8.94 | 8.94 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.8 | 5.8 | 5.8 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 7.44 | 7.44 | 7.44 | ChEMBL |