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Compound Detail

CHEMBL142601

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Cn1cnc2c(=O)n(-c3ccccc3)c3ncccc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL142601
Phase Preclinical
Structure Type MOL
InChI Key RRAFWFMBJNRCKC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
2.27
ALogP
5
HBA
0
HBD
52.7
PSA (Ų)
0.54
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 C16H12N4O
MW 276.30
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
1479586 10.1021/jm00104a013 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine