Compound Detail
CHEMBL194450
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Basic Information
| ChEMBL ID | CHEMBL194450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCMLTLCBBSPLTG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
2.78
ALogP
4
HBA
2
HBD
62.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Seed linoleate 13S-lipoxygenase-1 CHEMBL4586 | IC50 | 4.23 | 4.23 | 59000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Seed linoleate 13S-lipoxygenase-1 | IC50 | = | 59000.0 | nM | 4.23 | Inhibitory concentration against soybean lipoxygenase upon incubation with sodiu... | 16190766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16190766 | 10.1021/jm0580149 | Molecular identity unknown | 3 |
| 16190766 | 10.1021/jm0580149 | Rattus norvegicus | 1 |
| 16190766 | 10.1021/jm0580149 | Seed linoleate 13S-lipoxygenase-1 | 1 |
Data from ChEMBL 36 via Core Engine