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Compound Detail

CHEMBL2286825

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CC1(C)CCc2cccc(NC(=O)c3cccnc3Cl)c2O1

Basic Information

ChEMBL ID CHEMBL2286825
Phase Preclinical
Structure Type MOL
InChI Key GSEVCIKMSORWJT-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

316.8
MW (Da)
4.09
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17ClN2O2
MW 316.79
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.78

Activity Summary

EC50 1 meas.
IC50 1 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytochrome b-c1 complex subunit Rieske, mitochondrial
CHEMBL2366433
IC50 6.42 6.42 380.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1584/jpestics.17.2_91 Cytochrome b-c1 complex subunit Rieske, mitochondrial 1
- 10.1584/jpestics.17.2_91 Botrytis cinerea 1
- 10.1584/jpestics.17.2_91 Rhizoctonia solani 1

Data from ChEMBL 36 via Core Engine