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Compound Detail

CHEMBL361338

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O=C(CC(=O)c1nnn[nH]1)c1ccc(-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL361338
Phase Preclinical
Structure Type MOL
InChI Key GVOBGOBGBQJHDM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
2.32
ALogP
5
HBA
1
HBD
88.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N4O2
MW 292.30
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
15341951 10.1016/j.bmcl.2004.07.028 Flap endonuclease 1 1
15341951 10.1016/j.bmcl.2004.07.028 DNA excision repair protein ERCC-5 1

Data from ChEMBL 36 via Core Engine