Compound Detail
CHEMBL112105
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Basic Information
| ChEMBL ID | CHEMBL112105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVIASJPHDQEBCR-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
3.65
ALogP
3
HBA
2
HBD
42.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 7.1 | 7.1 | 79.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 79.0 | nM | 7.1 | In vitro inhibitory activity against human histone deacetylase (HDAC) using HeLa... | 15149697 |
| Histone deacetylase | IC50 | = | 79.0 | nM | 7.1 | Inhibitory concentration against human histone deacetylase | 15715470 |
| Histone deacetylase | IC50 | = | 79.0 | nM | 7.1 | Inhibition of HDAC in human HeLa cells | 20223566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149697 | 10.1016/j.bmcl.2004.03.063 | Histone deacetylase | 1 |
| 15715470 | 10.1021/jm049207j | Histone deacetylase | 1 |
| 20223566 | 10.1016/j.ejmech.2010.02.030 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine