Compound Detail
CHEMBL192557
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Basic Information
| ChEMBL ID | CHEMBL192557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFNYIZLDBNYRDS-KQQUZDAGSA-N |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
380.3
MW (Da)
3.34
ALogP
5
HBA
2
HBD
80.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.05 | 4.05 | 89949.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 90000.0 | nM | 4.05 | Inhibitory concentration against maize histone deacetylase 1-A (class IIa HDAC) | 15857140 |
| Unchecked | IC50 | = | 90000.0 | nM | 4.05 | Inhibition of maize histone deacetylase 1A | 17698257 |
| Unchecked | IC50 | = | 89949.76 | nM | 4.05 | Inhibition of maize histone deacetylase 1A | 17698257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857140 | 10.1021/jm049002a | Unchecked | 3 |
| 17698257 | 10.1016/j.ejmech.2007.05.004 | Unchecked | 3 |
| 15857140 | 10.1021/jm049002a | Histone deacetylase HD2 | 2 |
| 17698257 | 10.1016/j.ejmech.2007.05.004 | Histone deacetylase HD1B | 2 |
Data from ChEMBL 36 via Core Engine