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Compound Detail

CHEMBL4785369

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O=C(O)c1ccc(/C=N/c2nc[nH]n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4785369
Phase Preclinical
Structure Type MOL
InChI Key BNGRKYOXBJIQTM-VZUCSPMQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

216.2
MW (Da)
1.25
ALogP
4
HBA
2
HBD
91.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H8N4O2
MW 216.20
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
33135887 10.1021/acs.jmedchem.0c00766 DNA repair protein RAD52 homolog 2

Data from ChEMBL 36 via Core Engine