Compound Detail
CHEMBL4797931
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4797931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPSCUKUKYRNPDM-LLVKDONJSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
3.31
ALogP
5
HBA
1
HBD
71.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 4 CHEMBL3524 | IC50 | 7.52 | 7.26 | 30.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 214.0 | mL.min-1.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 4 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of HDAC4 (unknown origin) using Boc Lys(TFA) as substrate by fluoroge... | 33738065 |
| Histone deacetylase 4 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Class 2A HDAC4 in human Jurkat E6.1 cells using Boc-Lys-(TFA)-AMC ... | 33738065 |
| Unchecked | IC50 | = | 10300.0 | nM | 4.99 | Inhibition of Class 1/2b HDAC in human Jurkat E6.1 cells using Boc-Lys-(Ac)-AMC ... | 33738065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33738065 | 10.1021/acsmedchemlett.0c00532 | Histone deacetylase 4 | 2 |
| 33738065 | 10.1021/acsmedchemlett.0c00532 | Unchecked | 2 |
| 33738065 | 10.1021/acsmedchemlett.0c00532 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine