Compound Detail
CHEMBL191483
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Basic Information
| ChEMBL ID | CHEMBL191483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAMIXXKAWNLXOC-MRXNPFEDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
3.18
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 84.0 | nM | 7.08 | In vitro inhibitory concentration against histone deacetylase of DU-145 prostate... | 16107152 |
| Unchecked | IC50 | = | 84.0 | nM | 7.08 | Inhibition of HDAC activity in human DU-145 cell nuclear extract | 28453994 |
| DU-145 | IC50 | = | 820.0 | nM | 6.09 | Inhibitory concentration against DU-145 prostate cancer cell proliferation over ... | 16107152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16107152 | 10.1021/jm0503749 | Histone deacetylase | 1 |
| 16107152 | 10.1021/jm0503749 | DU-145 | 1 |
| 28453994 | 10.1016/j.ejmech.2017.04.013 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine