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

CHEMBL3261731

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
COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(=O)c2cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3261731
Phase Preclinical
Structure Type MOL
InChI Key SUFFMIUELDDRLM-UHFFFAOYSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

459.4
MW (Da)
6.34
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17F4NO4
MW 459.40
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.70

Activity Summary

EC50 3 meas. best 9.3
IC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 9.3 9.075 0.5 2
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 8.85 8.85 1.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 0.5 nM 9.3 Antimalarial activity against atovaquone-resistant clinical isolate Plasmodium f... 24720377
Plasmodium falciparum EC50 = 1.4 nM 8.85 Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 MRA... 24720377
NON-PROTEIN TARGET EC50 = 1.4 nM 8.85 Antimalarial activity against multidrug-resistant Plasmodium falciparum Dd2 MRA-... 24720377

Literature References

PubMed DOI Target Context # Activities
24720377 10.1021/jm500147k Plasmodium falciparum 2
24720377 10.1021/jm500147k Plasmodium yoelii 2
24720377 10.1021/jm500147k Liver microsome 2
31585276 10.1016/j.ejmech.2019.111711 Toxoplasma gondii 2
31585276 10.1016/j.ejmech.2019.111711 ADMET 2
24720377 10.1021/jm500147k NON-PROTEIN TARGET 1
24720377 10.1021/jm500147k HepG2 1
24720377 10.1021/jm500147k Unchecked 1

Data from ChEMBL 36 via Core Engine