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Compound Detail

CHEMBL438846

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O=C(O)COc1ccc2c3ccccc3n(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL438846
Phase Preclinical
Structure Type MOL
InChI Key RRRMRJSUUORMPE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

517.4
MW (Da)
5.53
ALogP
5
HBA
1
HBD
85.6
PSA (Ų)
0.35
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H13F6NO5S
MW 517.40
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
17035010 10.1016/j.bmcl.2006.09.061 Gamma-secretase 3
17035010 10.1016/j.bmcl.2006.09.061 H4 1

Data from ChEMBL 36 via Core Engine