Compound Detail
CHEMBL186311
VALPROPYLHYDROXAMIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL186311 |
| Name | VALPROPYLHYDROXAMIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROJGIRXXBBBMPL-UHFFFAOYSA-N |
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
159.2
MW (Da)
1.71
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Histone deacetylase 5 CHEMBL2563 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
| Histone deacetylase 9 CHEMBL4145 | IC50 | 4.04 | 4.04 | 91000.0 | 1 |
| Histone deacetylase 7 CHEMBL2716 | IC50 | 4.0 | 4.0 | 99000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of human recombinant HDAC6 | 21874153 |
| Histone deacetylase 5 | IC50 | = | 37000.0 | nM | 4.43 | Inhibition of human recombinant HDAC5 | 21874153 |
| Histone deacetylase 8 | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of human recombinant HDAC8 | 21874153 |
| Histone deacetylase 9 | IC50 | = | 91000.0 | nM | 4.04 | Inhibition of human recombinant HDAC9 | 21874153 |
| Histone deacetylase 7 | IC50 | = | 99000.0 | nM | 4.0 | Inhibition of human recombinant HDAC7 | 21874153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21874153 | 10.1021/ml1001954 | Histone deacetylase 6 | 3 |
| 21874153 | 10.1021/ml1001954 | Xenopus laevis | 3 |
| 21874153 | 10.1021/ml1001954 | Unchecked | 3 |
| 15482904 | 10.1016/j.bmcl.2004.09.013 | Glycogen synthase kinase-3 alpha | 1 |
| 15482904 | 10.1016/j.bmcl.2004.09.013 | Unchecked | 1 |
| 15482904 | 10.1016/j.bmcl.2004.09.013 | NON-PROTEIN TARGET | 1 |
| 21874153 | 10.1021/ml1001954 | Histone deacetylase 1 | 1 |
| 21874153 | 10.1021/ml1001954 | Histone deacetylase 2 | 1 |
| 21874153 | 10.1021/ml1001954 | Histone deacetylase 3 | 1 |
| 21874153 | 10.1021/ml1001954 | Histone deacetylase 8 | 1 |
| 21874153 | 10.1021/ml1001954 | Histone deacetylase 4 | 1 |
| 21874153 | 10.1021/ml1001954 | Histone deacetylase 5 | 1 |
| 21874153 | 10.1021/ml1001954 | Histone deacetylase 7 | 1 |
| 21874153 | 10.1021/ml1001954 | Histone deacetylase 9 | 1 |
| 21874153 | 10.1021/ml1001954 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine