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Compound Detail

CHEMBL2296846

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COc1ccc(C(=O)/C=C/c2c(OC)cc(OC)cc2OC)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2296846
Phase Preclinical
Structure Type MOL
InChI Key JABRATFUYXMHON-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
3.76
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19FO5
MW 346.35
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-013-0520-9 HCT-15 1
- 10.1007/s00044-013-0520-9 A549 1
- 10.1007/s00044-013-0520-9 HeLa 1

Data from ChEMBL 36 via Core Engine