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Compound Detail

CHEMBL2297221

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CCOCc1c(OC)cc2c(c1OC)C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2297221
Phase Preclinical
Structure Type MOL
InChI Key YEIXBQLNJAGNKS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
3.02
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18O5
MW 326.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.68

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0197-5 NON-PROTEIN TARGET 3
- 10.1007/s00044-012-0197-5 DU-145 1
- 10.1007/s00044-012-0197-5 MES-SA 1
- 10.1007/s00044-012-0197-5 MCF7 1

Data from ChEMBL 36 via Core Engine