Compound Detail
CHEMBL4450603
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Basic Information
| ChEMBL ID | CHEMBL4450603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHWUQSJYZBIYMR-BUHFOSPRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
5.06
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lipoxygenase CHEMBL1641359 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lipoxygenase | IC50 | = | 340.0 | nM | 6.47 | Inhibition of soya bean LOX assessed as reduction in formation of 13-hydroperoxy... | 31082225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31082225 | 10.1021/acs.jmedchem.9b00017 | Lipoxygenase | 1 |
| 31082225 | 10.1021/acs.jmedchem.9b00017 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine