Compound Detail
CHEMBL504898
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Basic Information
| ChEMBL ID | CHEMBL504898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHRCTGGFVRLKGH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
1.61
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.97 | 4.97 | 10600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 62.0 | nM | 7.21 | Inhibition of HDAC from human HeLa cells | 18672316 |
| HeLa | IC50 | = | 10600.0 | nM | 4.97 | Antiproliferative activity against human HeLa cells after 4 hrs by WST-1 assay | 18672316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18672316 | 10.1016/j.ejmech.2008.06.020 | Histone deacetylase | 1 |
| 18672316 | 10.1016/j.ejmech.2008.06.020 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine