Compound Detail
CHEMBL3593676
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Basic Information
| ChEMBL ID | CHEMBL3593676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXCIHVBAXPHXPZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
191.3
MW (Da)
1.22
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | IC50 | = | 150.0 | nM | 6.82 | Displacement of [3H]-cytisine from alpha4beta2 nicotine acetylcholine receptor i... | 26142318 |
| Neuronal acetylcholine receptor subunit alpha-7 | IC50 | = | 4600.0 | nM | 5.34 | Displacement of [3H]-alpha-bungarotoxin from alpha7 nicotine acetylcholine recep... | 26142318 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26142318 | 10.1016/j.bmc.2015.06.034 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 26142318 | 10.1016/j.bmc.2015.06.034 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine