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Compound Detail

CHEMBL119076

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CCCCCc1ncn(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL119076
Phase Preclinical
Structure Type MOL
InChI Key QOXPHJBVQZXAIR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
4.81
ALogP
4
HBA
0
HBD
52.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23FN2O2S
MW 386.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
12877584 10.1021/jm030765s Prostaglandin G/H synthase 2 2
12877584 10.1021/jm030765s Prostaglandin G/H synthase 1 1
12877584 10.1021/jm030765s Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine