Compound Detail
CHEMBL3580736
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Basic Information
| ChEMBL ID | CHEMBL3580736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMQNLOWHFHPWEA-AATRIKPKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
1.99
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.17 | 4.17 | 67200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 67200.0 | nM | 4.17 | Cytoprotective activity against H2O2-induced cytotoxicity in human EAhy926 cells... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00022F | NON-PROTEIN TARGET | 5 |
| 34995066 | 10.1021/acs.jnatprod.1c00982 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine