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

CHEMBL480558

GSI-136
Phase I
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
Phase I
CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL480558
Name GSI-136
Phase Phase I
Structure Type MOL
InChI Key PYZFRRVBPNGCBX-SECBINFHSA-N

Known Names

Gsi-136
1
Targets
5
Activities
2
Assay Types
10
PK Parameters
20
Publications
1
Known Names
1
Indications

Molecular Properties

311.9
MW (Da)
2.48
ALogP
4
HBA
2
HBD
66.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula C11H18ClNO3S2
MW 311.86
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.27

Indications

Alzheimer Disease

Activity Summary

EC50 4 meas. best 7.55
IC50 1 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.6 7.6 25.0 1
Unchecked
CHEMBL612545
 EC50 7.55 7.3025 28.0 4

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.03333 hr Mus musculus
T1/2 0.01667 hr Rattus norvegicus
T1/2 0.1333 hr Homo sapiens
t1/2 - - Canis lupus familiaris
t1/2 - - Macaca mulatta
T1/2 0.01667 hr Rattus norvegicus
T1/2 0.03333 hr Mus musculus
T1/2 0.1333 hr Homo sapiens
T1/2 0.1333 hr Homo sapiens
T1/2 0.03333 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 25.0 nM 7.6 Inhibition of gamma-secretase expressed in CHO cells expressing human recombinan... 19012391
Unchecked EC50 = 28.0 nM 7.55 Inhibition of gamma-secretase-mediated amyloid beta 40/42 accumulation assessed ... 19097890
Unchecked EC50 = 29.0 nM 7.54 Inhibition of gamma-secretase-mediated cleavage of human APP expressed in CHO ce... 19443228
Unchecked EC50 = 29.0 nM 7.54 Inhibition of gamma-secretase-mediated cleavage of human APP expressed in CHO ce... 19443228
Unchecked EC50 = 266.0 nM 6.58 Inhibition of gamma-secretase by Notch-1 cleavage assay 19097890

Literature References

PubMed DOI Target Context # Activities
19012391 10.1021/jm801252w ADMET 6
- 10.6019/CHEMBL3301361 ADMET 3
19097890 10.1016/j.bmcl.2008.11.116 Unchecked 3
19097890 10.1016/j.bmcl.2008.11.116 Mus musculus 3
19012391 10.1021/jm801252w Mus musculus 2
19694467 10.1021/jm900188z ADMET 2
19694467 10.1021/jm900188z Caco-2 2
19694467 10.1021/jm900188z Mus musculus 2
19443228 10.1016/j.bmc.2009.04.052 Unchecked 2
19097890 10.1016/j.bmcl.2008.11.116 Liver microsomes 2
19012391 10.1021/jm801252w Caco-2 2
19012391 10.1021/jm801252w No relevant target 2
19012391 10.1021/jm801252w Unchecked 2
19097890 10.1016/j.bmcl.2008.11.116 Cytochrome P450 2D6 1
19097890 10.1016/j.bmcl.2008.11.116 Cytochrome P450 3A4 1
19097890 10.1016/j.bmcl.2008.11.116 ADMET 1
19097890 10.1016/j.bmcl.2008.11.116 Cytochrome P450 2C9 1
19443228 10.1016/j.bmc.2009.04.052 Gamma-secretase 1
19097890 10.1016/j.bmcl.2008.11.116 No relevant target 1
19694467 10.1021/jm900188z No relevant target 1

Data from ChEMBL 36 via Core Engine