Compound Detail
CHEMBL498176
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Basic Information
| ChEMBL ID | CHEMBL498176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYSMMCQEFUGZQJ-WDZFZDKYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
3.50
ALogP
5
HBA
0
HBD
60.4
PSA (Ų)
0.20
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
| Fibroblast CHEMBL613838 | IC50 | 4.46 | 4.46 | 34600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 33000.0 | nM | 4.48 | Antiproliferative activity against human WHCO1 cells after 48 hrs by MTT assay | 22381354 |
| Fibroblast | IC50 | = | 34600.0 | nM | 4.46 | Anticancer activity against cobalt radiation CT-1 transformed fibroblasts | 18774712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18774712 | 10.1016/j.bmcl.2008.08.056 | Fibroblast | 1 |
| 22381354 | 10.1016/j.ejmech.2012.01.058 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine