Compound Detail
CHEMBL4869825
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Basic Information
| ChEMBL ID | CHEMBL4869825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCRRMDGVURVBFB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
2.85
ALogP
5
HBA
3
HBD
96.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 8 CHEMBL3797017 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 8 | IC50 | = | 730.0 | nM | 6.14 | Inhibition of Schistosoma mansoni HDAC8 using Fluor de Lys as substrate incubate... | 34392190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34392190 | 10.1016/j.ejmech.2021.113745 | Schistosoma mansoni | 2 |
| 34392190 | 10.1016/j.ejmech.2021.113745 | Histone deacetylase 8 | 1 |
| 34392190 | 10.1016/j.ejmech.2021.113745 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine