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Compound Detail

CHEMBL420479

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CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccncc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL420479
Phase Preclinical
Structure Type MOL
InChI Key HODLBUCUCVZQQM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
3.36
ALogP
5
HBA
0
HBD
64.8
PSA (Ų)
0.71
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 C16H12F3N3O2S
MW 367.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
10956225 10.1021/jm0000719 Prostaglandin G/H synthase 2 1
10956225 10.1021/jm0000719 Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine