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Compound Detail

CHEMBL340101

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Cc1cc(=O)c(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL340101
Phase Preclinical
Structure Type MOL
InChI Key HZGQZVYIWCXRTJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
3.07
ALogP
4
HBA
1
HBD
90.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14FNO4S
MW 359.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
15239665 10.1021/jm049882t Prostaglandin G/H synthase 1 1
15239665 10.1021/jm049882t Prostaglandin G/H synthase 2 1
15239665 10.1021/jm049882t Cyclooxygenase 1
15239665 10.1021/jm049882t Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine