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Compound Detail

CHEMBL1780211

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CCN(CC)c1ccc2nc3c4ccccc4/c(=N\c4ncc(Cl)cc4Cl)cc-3oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1780211
Phase Preclinical
Structure Type MOL
InChI Key BITYTJGPAXWCGP-OFWBYEQRSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

463.4
MW (Da)
6.87
ALogP
5
HBA
0
HBD
54.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20Cl2N4O
MW 463.37
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.08

Activity Summary

IC50 2 meas. best 7.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 7.2 7.2 63.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 63.0 nM 7.2 Antimalarial activity against chloroquine and pyrimethamine resistant Plasmodium... 24900219

Literature References

PubMed DOI Target Context # Activities
24900219 10.1021/ml100120a Plasmodium berghei 2
24900219 10.1021/ml100120a Plasmodium falciparum 1
24900219 10.1021/ml100120a L6 1
24900219 10.1021/ml100120a Unchecked 1

Data from ChEMBL 36 via Core Engine