Compound Detail
CHEMBL3182429
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Basic Information
| ChEMBL ID | CHEMBL3182429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAMVVVGRBNNUSR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3301730 |
| Active Moiety | CHEMBL3301730 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
394.3
MW (Da)
6.00
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.60
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein skinhead-1 CHEMBL2146298 | IC50 | 6.61 | 6.61 | 244.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein skinhead-1 | IC50 | = | 244.0 | nM | 6.61 | PubChem BioAssay. SAR analysis to confirm small molecule inhibitors of SKN-1 in ... | - |
Data from ChEMBL 36 via Core Engine