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Compound Detail

CHEMBL3219635

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CCOC(=O)c1c[nH]c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3219635
Phase Preclinical
Structure Type MOL
InChI Key LTLHOSNYJIXONG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.4
MW (Da)
4.19
ALogP
4
HBA
1
HBD
68.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16F3NO4
MW 391.35
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.85 6.85 141.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 141.5 nM 6.85 Antimalarial activity against wild type Plasmodium falciparum 3D7 assessed as gr... -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C1MD00183C Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine