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Compound Detail

CHEMBL289530

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COc1cccc2c1C(=O)c1c(OC)cc(C)cc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL289530
Phase Preclinical
Structure Type MOL
InChI Key LODCICIWBUFMMY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
2.79
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H14O4
MW 282.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.60

Literature References

PubMed DOI Target Context # Activities
2738893 10.1021/jm00127a032 Nucleic Acid 2
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
2738893 10.1021/jm00127a032 L1210 1
2738893 10.1021/jm00127a032 HL-60 1
24763362 10.1016/j.ejmech.2014.04.033 Unchecked 1

Data from ChEMBL 36 via Core Engine