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Compound Detail

CHEMBL3741254

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O=c1c2c([nH]c3ccccc13)CN(Cc1ccc(Cl)c(Cl)c1)C2

Basic Information

ChEMBL ID CHEMBL3741254
Phase Preclinical
Structure Type MOL
InChI Key UGLFTIYMTYVICO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.2
MW (Da)
4.35
ALogP
2
HBA
1
HBD
36.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14Cl2N2O
MW 345.23
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 7.16 7.16 70.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 70.0 nM 7.16 Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythr... -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00062A Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine