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Compound Detail

CHEMBL369924

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O=C(Nc1ccccc1)Nc1cccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL369924
Phase Preclinical
Structure Type MOL
InChI Key URSWTOLGAGOKGZ-ZRDIBKRKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

411.3
MW (Da)
6.53
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.37
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 C22H16Cl2N2O2
MW 411.29
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 5.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 5.67 5.67 2140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 2140.0 nM 5.67 Inhibitory concentration against Plasmodium falciparum in FACS 15887974

Literature References

PubMed DOI Target Context # Activities
15887974 10.1021/jm058208o Plasmodium falciparum 1
15887974 10.1021/jm058208o Falcipain 2 1
15887974 10.1021/jm058208o Histidine-rich protein PFHRP-II 1
15887974 10.1021/jm058208o Mus musculus 1

Data from ChEMBL 36 via Core Engine