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

CHEMBL4874204

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
O=C(O)c1ccc(Nc2nccc(Nc3ccc4nc[nH]c4c3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4874204
Phase Preclinical
Structure Type MOL
InChI Key FXLSQAOGNNPOLY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
3.54
ALogP
6
HBA
4
HBD
115.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N6O2
MW 346.35
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 5.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 5.09 5.09 8200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 8200.0 nM 5.09 Antimalarial activity against chloroquine-sensitive plasmodium falciparum 3D7 in... 34479064

Literature References

PubMed DOI Target Context # Activities
34479064 10.1016/j.bmc.2021.116348 Plasmodium falciparum 1
34479064 10.1016/j.bmc.2021.116348 HepG2 1
34479064 10.1016/j.bmc.2021.116348 ADMET 1

Data from ChEMBL 36 via Core Engine