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Compound Detail

CHEMBL3262697

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COc1c(C(C)=O)c(C)cc2cccc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3262697
Phase Preclinical
Structure Type MOL
InChI Key YBNOHEODUDYOQX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
3.07
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.81
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 C14H14O3
MW 230.26
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.95

Literature References

PubMed DOI Target Context # Activities
24763362 10.1016/j.ejmech.2014.04.033 Prostaglandin G/H synthase 1 2
24763362 10.1016/j.ejmech.2014.04.033 Prostaglandin G/H synthase 2 2
24763362 10.1016/j.ejmech.2014.04.033 Unchecked 1

Data from ChEMBL 36 via Core Engine