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Compound Detail

CHEMBL3357107

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COc1ccc(C2=C(c3ccc(Oc4ccc(F)cc4)cc3)C(=O)OC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3357107
Phase Preclinical
Structure Type MOL
InChI Key ZDFPEVWDYWWGOS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
5.09
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17FO4
MW 376.38
Aromatic Rings 3
Heavy Atoms 28
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