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Compound Detail

CHEMBL133255

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COc1c(O)cc2cccc(OC)c(=O)c2c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL133255
Phase Preclinical
Structure Type MOL
InChI Key YVNSAXVZKHCVBT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
1.93
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14O5
MW 262.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.90

Literature References

PubMed DOI Target Context # Activities
13678404 10.1021/jm030190z Bcl-2-like protein 1 1
13678404 10.1021/jm030190z HeLa 1

Data from ChEMBL 36 via Core Engine