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Compound Detail

CHEMBL359396

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CCCCn1c(O)c2ncnc-2c2cccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL359396
Phase Preclinical
Structure Type MOL
InChI Key WGARNSAENPVUFG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
2.44
ALogP
5
HBA
1
HBD
63.8
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 C13H14N4O
MW 242.28
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.03

Literature References

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

Data from ChEMBL 36 via Core Engine