Compound Detail
CHEMBL1416100
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Basic Information
| ChEMBL ID | CHEMBL1416100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDWADCDCAPDAQP-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
3.87
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 6 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.2 | 6.06 | 630.0 | 2 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 5.59 | 5.2525 | 2580.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 630.0 | nM | 6.2 | Inhibition of androgen receptor in human LNCaP cells assessed as inhibition of p... | 25062331 |
| Androgen receptor | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of androgen receptor transcriptional activity in human LNCaP cells af... | 25062331 |
| Protein skinhead-1 | IC50 | = | 2580.0 | nM | 5.59 | PubChem BioAssay. SAR analysis to confirm small molecule inhibitors of SKN-1 in ... | - |
| Protein skinhead-1 | IC50 | = | 4050.0 | nM | 5.39 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| Protein skinhead-1 | IC50 | = | 7340.0 | nM | 5.13 | PubChem BioAssay. SAR analysis of small molecule inhibitors of SKN-1 in a fluore... | - |
| Protein skinhead-1 | IC50 | = | 12600.0 | nM | 4.9 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25062331 | 10.1021/jm500802j | Androgen receptor | 2 |
Data from ChEMBL 36 via Core Engine