CHEMBL210578
SMILES | O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 |
InChIKey | CXQUOFVDYCOSEZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 401.2 |
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 |
D4 | DRD4 | Rat | Dopamine | A | pKi | 7.92 | 7.92 | 7.92 | ChEMBL |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.37 | 7.37 | 7.37 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.84 | 6.84 | 6.84 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.06 | 5.06 | 5.06 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.92 | 8.14 | 8.28 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.41 | 7.41 | 7.41 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.29 | 8.72 | 9.15 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.51 | 7.51 | 7.51 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.56 | 7.56 | 7.56 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.8 | 9.15 | 9.51 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.8 | 8.8 | 8.8 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.56 | 7.56 | 7.56 | PDSP Ki database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.06 | 6.06 | 6.06 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.28 | 8.28 | 8.28 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 5.06 | 5.06 | 5.06 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.51 | 7.51 | 7.51 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.29 | 8.29 | 8.29 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |