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

CHEMBL273125

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
CC(C)(C)NC(=O)CNc1ccnc2cc(Cl)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL273125
Phase Preclinical
Structure Type MOL
InChI Key YJJNDFATZOZILN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

291.8
MW (Da)
3.21
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18ClN3O
MW 291.78
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.72

Activity Summary

IC50 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.0 5.92 993.9 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 993.9 nM 6.0 Antiparasitic activity against chloroquine-sensitive Plasmodium falciparum 3D7 18260613
Plasmodium falciparum IC50 = 1439.0 nM 5.84 Antiparasitic activity against chloroquine-resistant Plasmodium falciparum K1 18260613

Literature References

PubMed DOI Target Context # Activities
18260613 10.1021/jm7009292 Plasmodium falciparum 3
18260613 10.1021/jm7009292 KB 1

Data from ChEMBL 36 via Core Engine