Compound Detail
CHEMBL106380
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Basic Information
| ChEMBL ID | CHEMBL106380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDAMJAZCJDHAJQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
4.23
ALogP
5
HBA
3
HBD
77.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HaCaT CHEMBL614392 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Arachidonate 5-lipoxygenase CHEMBL2980 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3225 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 55.0 | hr | - |
| T1/2 | 34.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HaCaT | IC50 | = | 100.0 | nM | 7.0 | Tested for antiproliferative activity against HaCaT cells | 8759634 |
| Arachidonate 5-lipoxygenase | IC50 | = | 2000.0 | nM | 5.7 | Tested for inhibition of 5-lipoxygenase as inhibition of 5-HETE and LTB4 biosynt... | 8759634 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 3000.0 | nM | 5.52 | Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE b... | 8759634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8759634 | 10.1021/jm960259l | ADMET | 3 |
| 8759634 | 10.1021/jm960259l | HaCaT | 2 |
| 8759634 | 10.1021/jm960259l | Unchecked | 1 |
| 8759634 | 10.1021/jm960259l | Arachidonate 5-lipoxygenase | 1 |
| 8759634 | 10.1021/jm960259l | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
Data from ChEMBL 36 via Core Engine