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Compound Detail

CHEMBL4096410

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COc1cc2c(cc1-c1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4096410
Phase Preclinical
Structure Type MOL
InChI Key RDTPQSDGDHJUCN-NHDPSOOVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
5.12
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15FO3
MW 346.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
28651984 10.1016/j.bmcl.2017.06.040 Unchecked 1

Data from ChEMBL 36 via Core Engine