Compound Detail
CHEMBL2407739
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Basic Information
| ChEMBL ID | CHEMBL2407739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPMWQFIEKSOOIB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
5.14
ALogP
6
HBA
3
HBD
105.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3/NCoR1 CHEMBL3038484 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 3/NCoR1 | IC50 | = | 630.0 | nM | 6.2 | Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate in... | 23829483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23829483 | 10.1021/jm400634n | Histone deacetylase 8 | 1 |
| 23829483 | 10.1021/jm400634n | Histone deacetylase 6 | 1 |
| 23829483 | 10.1021/jm400634n | Histone deacetylase 3/NCoR1 | 1 |
| 23829483 | 10.1021/jm400634n | Histone deacetylase 2 | 1 |
Data from ChEMBL 36 via Core Engine