Compound Detail
CHEMBL5202398
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Basic Information
| ChEMBL ID | CHEMBL5202398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABNUOZCNOIJSCV-FMIVXFBMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
403.3
MW (Da)
2.26
ALogP
6
HBA
3
HBD
87.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL2915 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of rat HDAC1 using Boc-Lys(Ac)-AMC as substrate incubated for 60 mins... | 34826681 |
| Unchecked | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of rat HDAC6 using Boc-Lys(Ac)-AMC as substrate incubated for 60 mins... | 34826681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34826681 | 10.1016/j.bmc.2021.116510 | Unchecked | 2 |
| 34826681 | 10.1016/j.bmc.2021.116510 | Histone deacetylase 1 | 1 |
Data from ChEMBL 36 via Core Engine