Compound Detail
CHEMBL197577
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Basic Information
| ChEMBL ID | CHEMBL197577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRZHNRULRHECRF-JQCUSGDOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
-0.38
ALogP
4
HBA
3
HBD
104.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.4 | 9.25 | 0.4 | 2 |
| Histone deacetylase HD2 CHEMBL4919 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.4 | nM | 9.4 | Inhibitory concentration against Histone deacetylase 1B in maize | 16165353 |
| Unchecked | IC50 | = | 0.8 | nM | 9.1 | Inhibitory concentration against Histone deacetylase 1A in maize | 16165353 |
| Histone deacetylase HD2 | IC50 | = | 7.0 | nM | 8.15 | Inhibitory concentration against Histone deacetylase 2 in maize | 16165353 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16165353 | 10.1016/j.bmcl.2005.07.081 | Unchecked | 3 |
| 16165353 | 10.1016/j.bmcl.2005.07.081 | Histone deacetylase HD2 | 1 |
Data from ChEMBL 36 via Core Engine