Compound Detail
CHEMBL2288805
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Basic Information
| ChEMBL ID | CHEMBL2288805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBLPAOGIIRWCOL-LSDHQDQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
4.27
ALogP
5
HBA
0
HBD
56.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyricularia oryzae CHEMBL612925 | IC50 | 6.99 | 6.99 | 103.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyricularia oryzae | IC50 | = | 103.0 | nM | 6.99 | Inhibition of oxygen consumption in Magnaporthe oryzae submitochondrial particle... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 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