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Compound Detail

CHEMBL4777728

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Cn1cccc1C=CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4777728
Phase Preclinical
Structure Type MOL
InChI Key XCNRMRKBMPBEBG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

151.2
MW (Da)
1.12
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H9NO2
MW 151.16
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.53

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