Compound Detail
CHEMBL4798883
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Basic Information
| ChEMBL ID | CHEMBL4798883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVYOAOOUKHQGRM-GXFFZTMASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
1.63
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | Ki | 5.22 | 5.22 | 6000.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 4.98 | 4.98 | 10500.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 4.15 | 4.15 | 71000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 | Ki | = | 6000.0 | nM | 5.22 | Displacement of [3H]-epibatidine from human alpha3beta4 transfected in HEK293 ce... | 33325696 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 10500.0 | nM | 4.98 | Displacement of [125I]alpha-bungarotoxin from alpha7nAChR in rat hippocampus mem... | 33325696 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 71000.0 | nM | 4.15 | Displacement of [3H]-Epibatidine from alpha4beta2 nAChR in rat cerebral cortex m... | 33325696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33325696 | 10.1021/acs.jmedchem.0c01150 | Unchecked | 1 |
| 33325696 | 10.1021/acs.jmedchem.0c01150 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 33325696 | 10.1021/acs.jmedchem.0c01150 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 33325696 | 10.1021/acs.jmedchem.0c01150 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine