Compound Detail
CHEMBL1495889
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Basic Information
| ChEMBL ID | CHEMBL1495889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QISZUXNANQFOSU-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
4.03
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.97
EC50 1 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.97 | 4.69 | 10600.0 | 2 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 4.69 | 4.69 | 20538.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein skinhead-1 | IC50 | = | 10600.0 | nM | 4.97 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| Nuclear factor NF-kappa-B complex | EC50 | = | 20538.0 | nM | 4.69 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Protein skinhead-1 | IC50 | = | 38800.0 | nM | 4.41 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
Data from ChEMBL 36 via Core Engine