Compound Detail
CHEMBL2286693
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Basic Information
| ChEMBL ID | CHEMBL2286693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUPFDXACLVOSHJ-LVZFUZTISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
3.19
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyricularia oryzae CHEMBL612925 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyricularia oryzae | IC50 | = | 18.0 | nM | 7.75 | Inhibition of oxygen consumption in Magnaporthe oryzae submitochondrial particle... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.27.127 | Blumeria graminis f. sp. tritici | 7 |
| - | 10.1584/jpestics.27.127 | Oculimacula yallundae | 4 |
| - | 10.1584/jpestics.27.127 | Podosphaera fuliginea | 4 |
| - | 10.1584/jpestics.24.130 | Puccinia coronata | 4 |
| - | 10.1584/jpestics.24.130 | Botrytis cinerea | 4 |
| - | 10.1584/jpestics.24.130 | Blumeria graminis f. sp. tritici | 4 |
| - | 10.1584/jpestics.24.130 | Podosphaera fuliginea | 4 |
| - | 10.1584/jpestics.24.130 | Pyricularia oryzae | 1 |
Data from ChEMBL 36 via Core Engine