Compound Detail
CHEMBL1300882
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Basic Information
| ChEMBL ID | CHEMBL1300882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHGCQPQZQBCMTM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
4.18
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.75 | 4.41 | 17700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein skinhead-1 | IC50 | = | 17700.0 | nM | 4.75 | PubChem BioAssay. SAR analysis to confirm small molecule inhibitors of SKN-1 in ... | - |
| Protein skinhead-1 | IC50 | = | 50800.0 | nM | 4.29 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| Protein skinhead-1 | IC50 | = | 65200.0 | nM | 4.19 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21561152 | 10.1021/jm200304y | Sterol regulatory element-binding protein 2 | 1 |
Data from ChEMBL 36 via Core Engine