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Compound Detail

CHEMBL2316807

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Cc1ccc(/C=C/C(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2316807
Phase Preclinical
Structure Type MOL
InChI Key GIICMCYXHDOVJJ-JXMROGBWSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.9
MW (Da)
4.83
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22ClN3O
MW 379.89
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.00

Activity Summary

IC50 2 meas. best 7.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 7.32 7.285 47.4 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 47.4 nM 7.32 Antiplasmodial activity against CQ-resistant Plasmodium falciparum W2 blood stag... 23273038
Plasmodium falciparum IC50 = 55.85 nM 7.25 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