Compound Detail
CHEMBL112129
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Basic Information
| ChEMBL ID | CHEMBL112129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJSDPADSGRQDAM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
329.5
MW (Da)
5.30
ALogP
3
HBA
2
HBD
38.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 6.21 | 6.21 | 620.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 620.0 | nM | 6.21 | In vitro inhibitory activity against human histone deacetylase (HDAC) using HeLa... | 15149697 |
| Histone deacetylase | IC50 | = | 620.0 | nM | 6.21 | Inhibitory concentration against human histone deacetylase | 15715470 |
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 |
Data from ChEMBL 36 via Core Engine