Compound Detail
CHEMBL1462302
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Basic Information
| ChEMBL ID | CHEMBL1462302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFJDULHCELCQOW-BQYQJAHWSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
2.88
ALogP
2
HBA
0
HBD
33.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.98
IC50 2 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.98 | 5.98 | 1038.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | EC50 | 4.47 | 4.47 | 34000.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.31 | 4.19 | 48600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex | EC50 | = | 1038.0 | nM | 5.98 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 34000.0 | nM | 4.47 | Positive allosteric modulation of human alpha7 nAChR expressed in Xenopus laevis... | 34374537 |
| Protein skinhead-1 | IC50 | = | 48600.0 | nM | 4.31 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| Protein skinhead-1 | IC50 | = | 85930.0 | nM | 4.07 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34374537 | 10.1021/acs.jmedchem.1c01058 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine