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Compound Detail

CHEMBL366886

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CS(=O)(=O)c1ccc(-n2nnnc2-c2ccc(F)c(F)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL366886
Phase Preclinical
Structure Type MOL
InChI Key HUSJYWXNWVRFER-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.3
MW (Da)
2.01
ALogP
6
HBA
0
HBD
77.7
PSA (Ų)
0.73
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 C14H10F2N4O2S
MW 336.32
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.66

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00564-A Prostaglandin G/H synthase 1 1
- 10.1016/0960-894X(95)00564-A Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine