CHEMBL478413
SMILES | c1ccc(N2CCN(CCCSc3nc4ccccc4s3)CC2)nc1 |
InChIKey | WFKQHFRAVGTTCE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 370.1 |
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 |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.25 | 5.25 | 5.25 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.33 | 6.33 | 6.33 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 9.11 | 9.11 | 9.11 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 9.11 | 9.11 | 9.11 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.25 | 5.25 | 5.25 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pEC50 | 6.49 | 6.49 | 6.49 | ChEMBL |