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Compound Detail

CHEMBL52884

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COc1ccc2c(c1OC)C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL52884
Phase Preclinical
Structure Type MOL
InChI Key AMKRBKSZCGCEJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
2.48
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 C16H12O4
MW 268.27
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.62

Literature References

PubMed DOI Target Context # Activities
11459643 10.1016/s0960-894x(01)00318-3 Estrogen receptor 3
23454511 10.1016/j.ejmech.2013.01.049 HL-60 1
23454511 10.1016/j.ejmech.2013.01.049 J82 1
23454511 10.1016/j.ejmech.2013.01.049 SK-MES-1 1
23454511 10.1016/j.ejmech.2013.01.049 AGS 1
23454511 10.1016/j.ejmech.2013.01.049 MRC5 1

Data from ChEMBL 36 via Core Engine