CHEMBL310712
SMILES | CN1CCN(C2=Nc3cc(OS(=O)(=O)C(F)(F)F)ccc3Nc3ccccc32)CC1 |
InChIKey | RDPIPNDQCUEYHW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 440.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H1 | HRH1 | Rat | Histamine | A | pIC50 | 6.14 | 6.14 | 6.14 | ChEMBL |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.21 | 6.21 | 6.21 | ChEMBL |
D1 | DRD1 | Rat | Dopamine | A | pIC50 | 6.03 | 6.03 | 6.03 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 5.09 | 5.09 | 5.09 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.46 | 7.46 | 7.46 | ChEMBL |