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Compound Detail

CHEMBL34843

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CNc1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1

Basic Information

ChEMBL ID CHEMBL34843
Phase Preclinical
Structure Type MOL
InChI Key RADZUHZYBGTFCL-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
4.76
ALogP
4
HBA
3
HBD
63.0
PSA (Ų)
0.38
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 C20H18N4
MW 314.39
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.56

Activity Summary

IC50 2 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 6.5 6.5 320.0 1
Jurkat
CHEMBL397
IC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8182707 10.1021/jm00036a014 Jurkat 2
8182707 10.1021/jm00036a014 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine