Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL247490

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCCCCc1ccc(S(=O)(=O)n2c3ccccc3c3ccc(OCC(=O)O)cc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL247490
Phase Preclinical
Structure Type MOL
InChI Key VALVUQVVKIETHX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

493.6
MW (Da)
6.40
ALogP
5
HBA
1
HBD
85.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31NO5S
MW 493.63
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.52

Activity Summary

IC50 1 meas. best 4.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gamma-secretase
CHEMBL2094135
 IC50 4.43 4.43 37000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gamma-secretase IC50 = 37000.0 nM 4.43 Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed ... 17035010

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