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Compound Detail

CHEMBL259734

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Oc1cc(-c2nn[nH]n2)ccc1Oc1ccc(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL259734
Phase Preclinical
Structure Type MOL
InChI Key ZULGIWAUSROECL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

323.1
MW (Da)
3.67
ALogP
5
HBA
2
HBD
83.9
PSA (Ų)
0.77
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 C13H8Cl2N4O2
MW 323.14
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
17567585 10.1074/jbc.m701813200 Plasmodium falciparum 2
17567585 10.1074/jbc.m701813200 Enoyl-acyl-carrier protein reductase 1

Data from ChEMBL 36 via Core Engine