Compound Detail
CHEMBL5184156
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Basic Information
| ChEMBL ID | CHEMBL5184156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPMFCCCECUVGJJ-VOTSOKGWSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
2.00
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyamine deacetylase HDAC10 CHEMBL4802002 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyamine deacetylase HDAC10 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of zebra fish HDAC10 using Ac-spermidine-AMC as substrate incubated f... | 35306288 |
| Histone deacetylase 8 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of recombinant human HDAC8 using H2N-Arg- His-Lys(Ac)-Lys(Ac)-AMC as ... | 35306288 |
| Histone deacetylase 6 | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of recombinant human HDAC6 using ZMAL (Z-(Ac)Lys-AMC as substrate inc... | 35306288 |
| Histone deacetylase 1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of recombinant human HDAC1 using ZMAL (Z-(Ac)Lys-AMC as substrate inc... | 35306288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35306288 | 10.1016/j.ejmech.2022.114272 | Polyamine deacetylase HDAC10 | 1 |
| 35306288 | 10.1016/j.ejmech.2022.114272 | Histone deacetylase 1 | 1 |
| 35306288 | 10.1016/j.ejmech.2022.114272 | Histone deacetylase 6 | 1 |
| 35306288 | 10.1016/j.ejmech.2022.114272 | Histone deacetylase 8 | 1 |
| 35306288 | 10.1016/j.ejmech.2022.114272 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine