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Compound Detail

CHEMBL1631882

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COc1ccc2c(OC)cc(=O)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1631882
Phase Preclinical
Structure Type MOL
InChI Key UOOULHJCQCLGGT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

206.2
MW (Da)
1.81
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
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 0.38

Literature References

PubMed DOI Target Context # Activities
21053896 10.1021/jm100757r Unchecked 1

Data from ChEMBL 36 via Core Engine