Compound Detail
CHEMBL198759
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Basic Information
| ChEMBL ID | CHEMBL198759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLTZHXYLLRJLST-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
3.10
ALogP
4
HBA
1
HBD
45.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.5
EC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | IC50 | 6.5 | 5.996 | 320.0 | 5 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Mus musculus CHEMBL375 | EC50 | 5.38 | 5.38 | 4160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | IC50 | = | 320.0 | nM | 6.5 | Inhibition of Photinus pyralis luciferase | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 600.0 | nM | 6.22 | Inhibition of Photinus pyralis luciferase by BrightGlo reporter gene assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Photinus pyralis luciferase by PK-Light assay | 18363348 |
| Histone deacetylase 6 | IC50 | = | 1400.0 | nM | 5.85 | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 wi... | - |
| Luciferin 4-monooxygenase | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of Photinus pyralis luciferase by Easy lite assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of Photinus pyralis luciferase by Steady-Glo reporter gene assay | 18363348 |
| Mus musculus | EC50 | = | 4160.0 | nM | 5.38 | Concentration required to inhibit dexamethasone-induced death of mice thymocytes | 16190767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18363348 | 10.1021/jm701302v | Luciferin 4-monooxygenase | 5 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 4 |
| 16190767 | 10.1021/jm0502034 | Mus musculus | 2 |
| 18363348 | 10.1021/jm701302v | Unchecked | 2 |
| 16190767 | 10.1021/jm0502034 | Unchecked | 1 |
| 16862141 | 10.1038/nchembio809 | Cellular tumor antigen p53 | 1 |
Data from ChEMBL 36 via Core Engine