CHEMBL2111782
SMILES | CN1CCN([C@@H]2Cn3cccc3Sc3ccccc32)CC1 |
InChIKey | PUSGNVOFKAPWQM-OAHLLOKOSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 1 |
Molecular weight (Da) | 299.1 |
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 |
H1 | HRH1 | Rat | Histamine | A | pKi | 8.02 | 8.02 | 8.02 | ChEMBL |
D3 | DRD3 | Rat | Dopamine | A | pKi | 6.07 | 6.86 | 7.64 | ChEMBL |
D1 | DRD1 | Rat | Dopamine | A | pKi | 6.8 | 6.83 | 6.86 | ChEMBL |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.22 | 6.97 | 7.72 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |