Compound Detail
CHEMBL2417785
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Basic Information
| ChEMBL ID | CHEMBL2417785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFCFDLMMOWZLPP-OAHLLOKOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
1.52
ALogP
6
HBA
3
HBD
117.6
PSA (Ų)
0.22
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.4 | 5.4 | 4010.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 4.08 | 4.08 | 82600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 4010.0 | nM | 5.4 | Inhibition of HDAC6 (unknown origin) | 23627282 |
| Histone deacetylase 1 | IC50 | = | 82600.0 | nM | 4.08 | Inhibition of HDAC1 (unknown origin) | 23627282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23627282 | 10.1021/jm4001659 | Histone deacetylase 6 | 1 |
| 23627282 | 10.1021/jm4001659 | Histone deacetylase 1 | 1 |
Data from ChEMBL 36 via Core Engine