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Compound Detail

CHEMBL3325595

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CN(C(=O)c1ccc2ncc(-c3ccc(C#N)cc3)n2c1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3325595
Phase Preclinical
Structure Type MOL
InChI Key SZTIJPADKKCCKK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
4.15
ALogP
4
HBA
0
HBD
61.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16N4O
MW 352.40
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.92

Activity Summary

IC50 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 600.0 nM 6.22 Antiplasmodial activity against schizont blood stage Plasmodium falciparum 25147620

Literature References

PubMed DOI Target Context # Activities
25147620 10.1021/ml500244m Plasmodium cynomolgi 1
25147620 10.1021/ml500244m Plasmodium yoelii 1
25147620 10.1021/ml500244m Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine