Compound Detail
CHEMBL4127193
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Basic Information
| ChEMBL ID | CHEMBL4127193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPCDPURYAICIPJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
4
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
2.20
ALogP
4
HBA
3
HBD
81.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 11 CHEMBL3310 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1118.38 | ng.hr.mL-1 | Mus musculus |
| CL | 17.0 | mL.min-1.g-1 | Mus musculus |
| Cmax | 4200.0 | nM | Mus musculus |
| F | 81.0 | % | Mus musculus |
| T1/2 | 10.2 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 11 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of full length recombinant human HDAC11 expressed in baculoviral expr... | 29776742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29776742 | 10.1016/j.bmcl.2018.05.021 | Mus musculus | 4 |
| 29776742 | 10.1016/j.bmcl.2018.05.021 | Histone deacetylase 11 | 1 |
| 29776742 | 10.1016/j.bmcl.2018.05.021 | Histone deacetylase 6 | 1 |
| 29776742 | 10.1016/j.bmcl.2018.05.021 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine