Compound Detail
CHEMBL180982
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Basic Information
| ChEMBL ID | CHEMBL180982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCZTZVMBLBXXFB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
2.18
ALogP
4
HBA
3
HBD
71.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 250.0 | nM | 6.6 | Inhibition of HDAC | 18247554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713393 | 10.1016/j.bmcl.2005.01.006 | Histone deacetylase | 1 |
| 18247554 | 10.1021/jm7011408 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine