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Compound Detail

CHEMBL3596397

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Cn1cc(-c2ccccc2)c2c(N)ncnc21

Basic Information

ChEMBL ID CHEMBL3596397
Phase Preclinical
Structure Type MOL
InChI Key OGLDUCRIMGNQNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

224.3
MW (Da)
2.22
ALogP
4
HBA
1
HBD
56.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N4
MW 224.27
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C4MD00090K No relevant target 3
- 10.1039/C4MD00090K Apical membrane antigen 1 1
- 10.1039/C4MD00090K Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine