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Compound Detail

CHEMBL3262111

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COc1cccc2c1O/C(=C\c1ccc(F)cc1F)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3262111
Phase Preclinical
Structure Type MOL
InChI Key KZUYYZZOHRSCMI-AUWJEWJLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

288.2
MW (Da)
3.59
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10F2O3
MW 288.25
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
24813880 10.1016/j.ejmech.2014.04.076 Unchecked 2
24813880 10.1016/j.ejmech.2014.04.076 Plasmodium falciparum 1
24813880 10.1016/j.ejmech.2014.04.076 HEK-293T 1

Data from ChEMBL 36 via Core Engine