Compound Detail
CHEMBL272134
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Basic Information
| ChEMBL ID | CHEMBL272134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WREBYPQOSZWUKP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.6
MW (Da)
6.33
ALogP
5
HBA
0
HBD
26.3
PSA (Ų)
0.25
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 4.25 | 4.25 | 56400.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.05 | 4.05 | 89000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 56400.0 | nM | 4.25 | Inhibition of human HDAC in HeLa cells | 18294844 |
| A549 | IC50 | = | 89000.0 | nM | 4.05 | Antiproliferative activity against human A549 cells after 3 days | 18294844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18294844 | 10.1016/j.bmcl.2008.02.007 | Histone deacetylase | 2 |
| 18294844 | 10.1016/j.bmcl.2008.02.007 | A549 | 1 |
Data from ChEMBL 36 via Core Engine