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Compound Detail

CHEMBL472151

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CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL472151
Phase Preclinical
Structure Type MOL
InChI Key VAIPHPAXOJKZMG-JGVFFNPUSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

297.8
MW (Da)
2.09
ALogP
4
HBA
2
HBD
66.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16ClNO3S2
MW 297.83
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.40

Activity Summary

EC50 1 meas. best 6.77
IC50 1 meas. best 6.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.77 6.77 170.0 1
Unchecked
CHEMBL612545
 IC50 6.53 6.53 297.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 170.0 nM 6.77 Inhibition of gamma-secretase-mediated amyloid beta 40/42 accumulation assessed ... 19097890
Unchecked IC50 = 297.0 nM 6.53 Inhibition of gamma-secretase expressed in CHO cells expressing human recombinan... 19012391

Literature References

PubMed DOI Target Context # Activities
19012391 10.1021/jm801252w Unchecked 2
19097890 10.1016/j.bmcl.2008.11.116 Unchecked 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine