CHEMBL4293999
SMILES | O=C(CCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2c3c(c1)CCN3C(=O)CC2 |
InChIKey | ACOZPXLCYUQMHS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 475.2 |
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 | Rat | 5-Hydroxytryptamine | A | pKi | 6.65 | 6.65 | 6.65 | ChEMBL |
D3 | DRD3 | Rat | Dopamine | A | pKi | 8.78 | 8.78 | 8.78 | ChEMBL |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
D1 | DRD1 | Rat | Dopamine | A | pKi | 7.11 | 7.11 | 7.11 | ChEMBL |
H1 | HRH1 | Guinea pig | Histamine | A | pKi | 6.2 | 6.2 | 6.2 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 6.2 | 6.2 | 6.2 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 8.54 | 8.54 | 8.54 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.26 | 8.26 | 8.26 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.78 | 8.78 | 8.78 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.14 | 9.14 | 9.14 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.07 | 8.07 | 8.07 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.54 | 8.54 | 8.54 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.07 | 8.07 | 8.07 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Human | Dopamine | A | pIC50 | 6.44 | 6.44 | 6.44 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 6.75 | 6.75 | 6.75 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 7.59 | 7.59 | 7.59 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.59 | 6.59 | 6.59 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.23 | 6.23 | 6.23 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.04 | 8.04 | 8.04 | ChEMBL |