Compound Detail
CHEMBL3109998
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Basic Information
| ChEMBL ID | CHEMBL3109998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPBZEZOXHIVEAF-JHJVBQTASA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.42
ALogP
5
HBA
2
HBD
66.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 4 CHEMBL3524 | IC50 | 6.7 | 6.235 | 200.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 36.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 65.0 | 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 | = | 200.0 | nM | 6.7 | Inhibition of human recombinant HDAC4 catalytic domain using Boc_Lys_TFA as subs... | 24261862 |
| Histone deacetylase 4 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of HDAC4 in human Jurkat E6.1 cells using Boc-Lys-TFA as substrate in... | 24261862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24261862 | 10.1021/jm4011884 | ADMET | 3 |
| 24261862 | 10.1021/jm4011884 | Histone deacetylase 4 | 3 |
| 24261862 | 10.1021/jm4011884 | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine