Compound Detail
CHEMBL5899637
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Basic Information
| ChEMBL ID | CHEMBL5899637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLOARSQSDRWMKR-VOTSOKGWSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
2.46
ALogP
5
HBA
2
HBD
76.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 2 CHEMBL1937 | IC50 | 5.52 | 5.52 | 3000.0 | 2 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.52 | 5.52 | 3000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 3000.0 | nM | 5.52 | Enzyme Inhibition: The HDAC activity inhibition assay was performed as follows t... | - |
| Histone deacetylase 2 | IC50 | = | 3000.0 | nM | 5.52 | Enzyme Inhibition: The HDAC activity inhibition assay was performed as follows t... | - |
| Histone deacetylase 1 | IC50 | = | 3000.0 | nM | 5.52 | HDAC Enzyme Inhibition: The HDAC activity inhibition assay was performed as foll... | - |
| Histone deacetylase 2 | IC50 | = | 3000.0 | nM | 5.52 | HDAC Enzyme Inhibition: The HDAC activity inhibition assay was performed as foll... | - |
Data from ChEMBL 36 via Core Engine