Compound Detail
CHEMBL354261
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Basic Information
| ChEMBL ID | CHEMBL354261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMCYEZUIYGPHDJ-OQLLNIDSSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
1.86
ALogP
4
HBA
3
HBD
81.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | IC50 | 6.1 | 5.484 | 800.0 | 5 |
| Unchecked CHEMBL612545 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | IC50 | = | 800.0 | nM | 6.1 | Inhibition of Photinus pyralis luciferase | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of Photinus pyralis luciferase by PK-Light assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of Photinus pyralis luciferase by BrightGlo reporter gene assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of Photinus pyralis luciferase by Easy lite assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of Photinus pyralis luciferase by Steady-Glo reporter gene assay | 18363348 |
| Unchecked | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of Renilla reniformis luciferase | 18363348 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18363348 | 10.1021/jm701302v | Luciferin 4-monooxygenase | 5 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 3 |
| 9083482 | 10.1021/jm960755+ | Human immunodeficiency virus type 1 integrase | 2 |
| 18363348 | 10.1021/jm701302v | Unchecked | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 20163897 | 10.1016/j.ejmech.2010.01.028 | Mycobacterium tuberculosis | 1 |
| 20163897 | 10.1016/j.ejmech.2010.01.028 | J774 | 1 |
| 20163897 | 10.1016/j.ejmech.2010.01.028 | Unchecked | 1 |
| 25127462 | 10.1016/j.bmc.2014.07.022 | Candida albicans | 1 |
| 25127462 | 10.1016/j.bmc.2014.07.022 | Nakaseomyces glabratus | 1 |
| 25982329 | 10.1016/j.ejmech.2015.04.042 | Staphylococcus aureus | 1 |
| 25982329 | 10.1016/j.ejmech.2015.04.042 | Bacillus subtilis | 1 |
| 25982329 | 10.1016/j.ejmech.2015.04.042 | Escherichia coli | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine