Compound Detail
CHEMBL1575487
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Basic Information
| ChEMBL ID | CHEMBL1575487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGTQEDOFWWHFAS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1625891 |
| Active Moiety | CHEMBL1625891 |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
363.9
MW (Da)
5.10
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.74
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein skinhead-1 CHEMBL2146298 | IC50 | 6.08 | 5.4075 | 826.0 | 4 |
| Heat shock protein hsp-16.2 CHEMBL2146313 | IC50 | 4.37 | 4.37 | 42710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein skinhead-1 | IC50 | = | 826.0 | nM | 6.08 | PubChem BioAssay. SAR analysis to confirm small molecule inhibitors of SKN-1 in ... | - |
| Protein skinhead-1 | IC50 | = | 3330.0 | nM | 5.48 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| Protein skinhead-1 | IC50 | = | 7210.0 | nM | 5.14 | PubChem BioAssay. SAR analysis of small molecule inhibitors of SKN-1 in a fluore... | - |
| Protein skinhead-1 | IC50 | = | 11800.0 | nM | 4.93 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| Heat shock protein hsp-16.2 | IC50 | = | 42710.0 | nM | 4.37 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits via a heat-... | - |
Data from ChEMBL 36 via Core Engine