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Compound Detail

CHEMBL206402

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Cc1scnc1-c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL206402
Phase Preclinical
Structure Type MOL
InChI Key RJDSGKQETJPZIH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.5
MW (Da)
4.79
ALogP
7
HBA
0
HBD
77.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15F3N4O2S2
MW 464.49
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.70

Literature References

PubMed DOI Target Context # Activities
16464588 10.1016/j.bmcl.2006.01.059 Cyclooxygenase-2 1

Data from ChEMBL 36 via Core Engine