CHEMBL3818124
SMILES | O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3cc(Cl)ccc3s1)CC2 |
InChIKey | JEYKHDMZDCZJFI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 454.2 |
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 |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 6.56 | 6.57 | 6.58 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.8 | 5.81 | 5.82 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.44 | 7.44 | 7.44 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.88 | 5.95 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.99 | 6.99 | 6.99 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.74 | 7.75 | 7.75 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |