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Compound Detail

CHEMBL342230

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CCCCc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1

Basic Information

ChEMBL ID CHEMBL342230
Phase Preclinical
Structure Type MOL
InChI Key LFLVYHVGNKJGBV-NTEUORMPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
4.63
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20O2
MW 280.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.25

Activity Summary

IC50 1 meas. best 4.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 4.68 4.68 20900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 20900.0 nM 4.68 Inhibition of [3H]hypoxanthine incorporation in Plasmodium falciparum K1 11728189

Literature References

PubMed DOI Target Context # Activities
11728189 10.1021/jm0101747 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine