Compound Detail
CHEMBL2431917
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Basic Information
| ChEMBL ID | CHEMBL2431917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCDIHRKCLZVPIJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
1.80
ALogP
4
HBA
2
HBD
69.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.46 | 7.13 | 35.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 35.0 | nM | 7.46 | Inhibition of N-terminal GST-tagged recombinant HDAC6 (unknown origin) assessed ... | 23964961 |
| Histone deacetylase 6 | IC50 | = | 158.0 | nM | 6.8 | Inhibition of HDAC6 in human HeLa cells using acetyl tubulin as substrate assess... | 23964961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23964961 | 10.1021/jm400385r | Histone deacetylase 6 | 3 |
| 23964961 | 10.1021/jm400385r | Unchecked | 2 |
| 23964961 | 10.1021/jm400385r | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine