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Compound Detail

CHEMBL4574909

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O=c1cc(CCc2ccccc2)oc2ccc(O)c(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4574909
Phase Preclinical
Structure Type MOL
InChI Key RNIUMSOYCSAHGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
2.99
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H14O4
MW 282.30
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 1.08

Literature References

PubMed DOI Target Context # Activities
30672698 10.1021/acs.jnatprod.8b00635 Unchecked 4
30672698 10.1021/acs.jnatprod.8b00635 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine