Compound Detail
CHEMBL193504
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Basic Information
| ChEMBL ID | CHEMBL193504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMUKUMUNZJILCG-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
268.4
MW (Da)
4.25
ALogP
3
HBA
0
HBD
17.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.95
EC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.95 | 5.95 | 1133.0 | 1 |
| Mus musculus CHEMBL375 | EC50 | 5.7 | 5.7 | 2010.0 | 1 |
| IGROV-1 CHEMBL613984 | 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 6 | IC50 | = | 1133.0 | nM | 5.95 | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 wi... | - |
| Mus musculus | EC50 | = | 2010.0 | nM | 5.7 | Concentration required to inhibit dexamethasone-induced death of mice thymocytes | 16190767 |
| IGROV-1 | IC50 | = | 23000.0 | nM | 4.64 | Antiproliferative activity against human IGROV1 cells after 72 hrs by cell count... | 21324703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21324703 | 10.1016/j.bmc.2011.01.039 | IGROV-1 | 5 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 4 |
| 16190767 | 10.1021/jm0502034 | Mus musculus | 2 |
| 16759106 | 10.1021/jm060318n | Cortical neurone | 2 |
| 16759106 | 10.1021/jm060318n | Cellular tumor antigen p53 | 2 |
| 16759106 | 10.1021/jm060318n | Rattus norvegicus | 2 |
| 16190767 | 10.1021/jm0502034 | Unchecked | 1 |
| 16759106 | 10.1021/jm060318n | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine