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Compound Detail

CHEMBL525284

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Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc(Cl)cc2)n1

Basic Information

ChEMBL ID CHEMBL525284
Phase Preclinical
Structure Type MOL
InChI Key IKTNEAXAJOAXRM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

323.8
MW (Da)
3.45
ALogP
5
HBA
2
HBD
82.8
PSA (Ų)
0.59
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 C17H14ClN5
MW 323.79
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.28

Activity Summary

IC50 2 meas. best 8.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NOMO-1
CHEMBL2366198
IC50 8.81 8.81 1.6 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20485427 10.1038/nature09107 Plasmodium falciparum 4
20485427 10.1038/nature09107 Unchecked 1
20485427 10.1038/nature09107 HepG2 1
39150226 10.1021/acs.jmedchem.4c01247 NOMO-1 1

Data from ChEMBL 36 via Core Engine