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Compound Detail

CHEMBL3357096

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O=C1OCC(c2ccccc2)=C1c1ccc(Oc2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3357096
Phase Preclinical
Structure Type MOL
InChI Key YNCAVGKALDNUFL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
5.09
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.62
QED
1
Ro5 Violations
4
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 -0.03

Literature References

PubMed DOI Target Context # Activities
25408841 10.1021/ml500344j Prostaglandin G/H synthase 1 1
25408841 10.1021/ml500344j Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine