Compound Detail
CHEMBL4071111
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Basic Information
| ChEMBL ID | CHEMBL4071111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMQKOIBURKGBBB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
470.5
MW (Da)
3.77
ALogP
6
HBA
3
HBD
105.4
PSA (Ų)
0.16
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 8 CHEMBL3797017 | IC50 | 5.85 | 5.85 | 1412.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 8 | IC50 | = | 1412.54 | nM | 5.85 | Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate... | 28259528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28259528 | 10.1016/j.bmc.2017.02.020 | Histone deacetylase 8 | 1 |
Data from ChEMBL 36 via Core Engine