CHEMBL3217984
SMILES | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 |
InChIKey | YVENIGOVHPMTDH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 0 |
Molecular weight (Da) | 308.1 |
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 |
5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.6 | 5.6 | 5.6 | ChEMBL |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
D5 | DRD5 | Human | Dopamine | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.5 | 7.5 | 7.5 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 7.1 | 7.1 | 7.1 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.1 | 7.1 | 7.1 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 8.5 | 8.5 | 8.5 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 7.6 | 7.6 | 7.6 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.3 | 8.3 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.5 | 7.5 | 7.5 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.9 | 6.9 | 6.9 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |