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Compound Detail

CHEMBL247492

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O=C(O)COc1ccc2c3ccccc3n(S(=O)(=O)c3ccccc3Br)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL247492
Phase Preclinical
Structure Type MOL
InChI Key LGKHXEPZJVGRCP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

460.3
MW (Da)
4.26
ALogP
5
HBA
1
HBD
85.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14BrNO5S
MW 460.31
Aromatic Rings 4
Heavy Atoms 28
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