CHEMBL340816
SMILES | O=C(CCCN1C2CCC1CC(c1ccccc1)C2)c1ccc(F)cc1 |
InChIKey | LECUUDCCVOYUHG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 351.2 |
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 | Human | Histamine | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.97 | 5.97 | 5.97 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.97 | 6.97 | 6.97 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.38 | 6.38 | 6.38 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.91 | 6.91 | 6.91 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.91 | 6.91 | 6.91 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.38 | 6.38 | 6.38 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.97 | 6.97 | 6.97 | PDSP Ki database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.97 | 5.97 | 5.97 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.75 | 6.75 | 6.75 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 6.01 | 6.01 | 6.01 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |