Compound Detail
CHEMBL155579
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Basic Information
| ChEMBL ID | CHEMBL155579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKGYBSPSUUVQRL-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
152.2
MW (Da)
0.39
ALogP
3
HBA
3
HBD
75.3
PSA (Ų)
0.31
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.41 | 6.135 | 389.0 | 2 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.15 | 5.15 | 7138.0 | 1 |
| Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) CHEMBL2111363 | IC50 | 4.74 | 4.74 | 18402.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 389.0 | nM | 6.41 | Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expresse... | 34795871 |
| Histone deacetylase 6 | IC50 | = | 1395.0 | nM | 5.86 | Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expresse... | 31710483 |
| Histone deacetylase 1 | IC50 | = | 7138.0 | nM | 5.15 | Inhibition of recombinant human C-terminal His-tagged HDAC1 expressed in Sf9 ins... | 34795871 |
| Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) | IC50 | = | 18402.0 | nM | 4.74 | Inhibition of C-terminal His-tagged human HDAC3 (1 to 428 residues)/N-terminal G... | 31710483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2308149 | 10.1021/jm00165a017 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 458812 | 10.1021/jm00191a027 | L1210 | 2 |
| 3820229 | 10.1021/jm00386a022 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 19791805 | 10.1021/jm900775q | Serine racemase | 1 |
| 458812 | 10.1021/jm00191a027 | Unchecked | 1 |
| 31710483 | 10.1021/acs.jmedchem.9b01194 | Histone deacetylase 6 | 1 |
| 31710483 | 10.1021/acs.jmedchem.9b01194 | Unchecked | 1 |
| 31710483 | 10.1021/acs.jmedchem.9b01194 | Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) | 1 |
| 34795871 | 10.1021/acsmedchemlett.1c00425 | Histone deacetylase 1 | 1 |
| 34795871 | 10.1021/acsmedchemlett.1c00425 | Histone deacetylase 6 | 1 |
| 34795871 | 10.1021/acsmedchemlett.1c00425 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine