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Compound Detail

CHEMBL4785153

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CC(C)Oc1c(-c2ccco2)c(=O)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4785153
Phase Preclinical
Structure Type MOL
InChI Key JENVFOBKOJFAHD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

206.2
MW (Da)
1.33
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.71
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 C11H10O4
MW 206.20
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.62

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