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Compound Detail

CHEMBL2316808

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CC(C)c1ccc(/C=C/C(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2316808
Phase Preclinical
Structure Type MOL
InChI Key QMGSJZCSQZTFPX-IZZDOVSWSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

407.9
MW (Da)
5.64
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26ClN3O
MW 407.95
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.89

Activity Summary

IC50 2 meas. best 7.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 7.42 7.36 38.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 38.0 nM 7.42 Antiplasmodial activity against CQ-resistant Plasmodium falciparum W2 blood stag... 23273038
Plasmodium falciparum IC50 = 50.27 nM 7.3 Antiplasmodial activity against CQ-resistant Plasmodium falciparum 3D7 blood sta... 23273038

Literature References

PubMed DOI Target Context # Activities
23273038 10.1021/jm301654b Plasmodium falciparum 2
23273038 10.1021/jm301654b Plasmodium berghei 1

Data from ChEMBL 36 via Core Engine