Compound Detail
CHEMBL337845
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Basic Information
| ChEMBL ID | CHEMBL337845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITRWJABLTBZJPV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
359.3
MW (Da)
4.14
ALogP
5
HBA
2
HBD
100.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Arachidonate 5-lipoxygenase CHEMBL2980 | IC50 | 5.7 | 5.275 | 2000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 1700.0 | nM | 5.77 | Antiproliferative activity against human K562 cells after 48 hrs | 20537765 |
| Arachidonate 5-lipoxygenase | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosyn... | 8258834 |
| Arachidonate 5-lipoxygenase | IC50 | = | 14000.0 | nM | 4.85 | Tested for the inhibition of lipid peroxidation in bovine brain phospholipid lip... | 8258834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8258834 | 10.1021/jm00077a015 | Arachidonate 5-lipoxygenase | 2 |
| 8258834 | 10.1021/jm00077a015 | ADMET | 1 |
| 8258834 | 10.1021/jm00077a015 | Unchecked | 1 |
| 20537765 | 10.1016/j.ejmech.2010.04.032 | K562 | 1 |
| 20537765 | 10.1016/j.ejmech.2010.04.032 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine