Compound Detail
CHEMBL1440061
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Basic Information
| ChEMBL ID | CHEMBL1440061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCLHOEDIIPVWHU-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
279.2
MW (Da)
3.83
ALogP
3
HBA
0
HBD
17.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.9
EC50 1 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 7.03 | 7.03 | 94.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.9 | 4.82 | 12700.0 | 2 |
| Heat shock protein hsp-16.2 CHEMBL2146313 | IC50 | 4.35 | 4.35 | 44520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex | EC50 | = | 94.0 | nM | 7.03 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Protein skinhead-1 | IC50 | = | 12700.0 | nM | 4.9 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| Protein skinhead-1 | IC50 | = | 18100.0 | nM | 4.74 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| Heat shock protein hsp-16.2 | IC50 | = | 44520.0 | nM | 4.35 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits via a heat-... | - |
Data from ChEMBL 36 via Core Engine