Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2030055

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCOC(=O)Oc1c(C)c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2030055
Phase Preclinical
Structure Type MOL
InChI Key BTFKOSYYNDGALP-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.5
MW (Da)
7.23
ALogP
5
HBA
0
HBD
57.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22F3NO4
MW 481.47
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.52

Activity Summary

IC50 2 meas. best 8.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 8.17 7.87 6.8 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 6.8 nM 8.17 Antimalarial activity against atoquinone-resistant Plasmodium falciparum TM90C2B 22364416
Plasmodium falciparum IC50 = 27.0 nM 7.57 Antimalarial activity against blood stage forms of Plasmodium falciparum 3D7 22364416

Literature References

PubMed DOI Target Context # Activities
22364416 10.1021/jm201179h Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine