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Compound Detail

CHEMBL1208974

SALACINOL
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O=S(=O)([O-])O[C@@H](CO)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1208974
Name SALACINOL
Phase Preclinical
Structure Type MOL
InChI Key SOWRVDSZMRPKRG-YRPOCYRVSA-N
5
Targets
40
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
-4.10
ALogP
9
HBA
5
HBD
167.6
PSA (Ų)
0.18
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H18O9S2
MW 334.37
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 2.27

Activity Summary

IC50 30 meas. best 6.47
Ki 10 meas. best 7.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 7.33 6.904 47.0 5
Maltase-glucoamylase
CHEMBL2074
 Ki 6.72 6.36 190.0 2
Sucrase-isomaltase, intestinal
CHEMBL3114
 Ki 6.7 6.33 200.0 2
Unchecked
CHEMBL612545
 IC50 6.47 5.75 340.0 10
Acidic alpha-glucosidase
CHEMBL3513
 Ki 6.01 6.01 970.0 1
Sucrase-isomaltase, intestinal
CHEMBL3114
 IC50 5.89 5.7408 1300.0 13
Maltase-glucoamylase
CHEMBL2074
 IC50 5.31 5.31 4900.0 1
Acidic alpha-glucosidase
CHEMBL3513
 IC50 5.28 5.226 5200.0 5
Glycogen debranching enzyme
CHEMBL5272
 IC50 4.32 4.32 48000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 47.0 nM 7.33 Inhibition of mouse his-tagged ctSI expressed in Sf9 cells assessed as amount of... 21669536
Unchecked Ki = 58.0 nM 7.24 Inhibition of mouse his-tagged ctMGAM-N20 expressed in Sf9 cells assessed as amo... 21669536
Maltase-glucoamylase Ki = 190.0 nM 6.72 Inhibition of recombinant human maltase-glucoamylase using p-nitrophenyl-alpha-D... 33347966
Unchecked Ki = 190.0 nM 6.72 Inhibition of human ntMGAM expressed in Drosophila S2 cells assessed as amount o... 21669536
Sucrase-isomaltase, intestinal Ki = 200.0 nM 6.7 Inhibition of rat intestinal sucrase 18547114
Unchecked Ki = 213.0 nM 6.67 Inhibition of mouse his-tagged ctMGAM-N2 expressed in Sf9 cells assessed as amou... 21669536
Unchecked Ki = 277.0 nM 6.56 Inhibition of human ntSI expressed in Drosophila S2 cells assessed as amount of ... 21669536
Unchecked IC50 = 340.0 nM 6.47 Inhibition of human lysosomal alpha glucosidase 18258441
Unchecked IC50 = 500.0 nM 6.3 Inhibition of maltase in human Caco-2 cell membrane 18258441
Unchecked IC50 = 520.0 nM 6.28 Inhibition of myozyme 18258441
Acidic alpha-glucosidase Ki = 970.0 nM 6.01 Inhibition of rat intestinal maltase 18547114
Maltase-glucoamylase Ki = 1000.0 nM 6.0 Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after... 20970346
Sucrase-isomaltase, intestinal Ki = 1100.0 nM 5.96 Inhibition of rat intestinal isomaltase 18547114
Sucrase-isomaltase, intestinal IC50 = 1300.0 nM 5.89 Inhibition of rat intestinal isomaltase 21345683
Sucrase-isomaltase, intestinal IC50 = 1300.0 nM 5.89 Inhibition of rat small intestinal isomaltase after 30 mins 21420866
Sucrase-isomaltase, intestinal IC50 = 1300.0 nM 5.89 Inhibition of rat small intestinal isomaltase after 30 mins by glucose-oxidase m... 21454075
Sucrase-isomaltase, intestinal IC50 = 1300.0 nM 5.89 Inhibition of rat small intestinal isomaltase after 30 mins by glucose-oxidase m... 23031648
Unchecked IC50 = 1300.0 nM 5.89 Inhibition of rat intestinal isomaltase using isomaltose as substrate incubated ... 33347966
Sucrase-isomaltase, intestinal IC50 = 1600.0 nM 5.8 Inhibition of rat intestinal sucrase 21345683
Sucrase-isomaltase, intestinal IC50 = 1600.0 nM 5.8 Inhibition of rat small intestinal sucrase after 30 mins 21420866

Literature References

PubMed DOI Target Context # Activities
21669536 10.1016/j.bmc.2011.05.033 Unchecked 11
18258441 10.1016/j.bmc.2008.01.032 Unchecked 5
18547114 10.1021/np070604h Sucrase-isomaltase, intestinal 4
21454075 10.1016/j.bmcl.2011.02.109 Sucrase-isomaltase, intestinal 4
33347966 10.1016/j.bmcl.2020.127751 Unchecked 3
18258441 10.1016/j.bmc.2008.01.032 Sucrase-isomaltase, intestinal 3
21345683 10.1016/j.bmc.2011.01.052 Sucrase-isomaltase, intestinal 2
33347966 10.1016/j.bmcl.2020.127751 Maltase-glucoamylase 2
23031648 10.1016/j.bmc.2012.09.006 Sucrase-isomaltase, intestinal 2
21454075 10.1016/j.bmcl.2011.02.109 Acidic alpha-glucosidase 2
21420866 10.1016/j.bmc.2011.02.028 Sucrase-isomaltase, intestinal 2
17416527 10.1016/j.bmc.2006.10.014 Unchecked 2
18547114 10.1021/np070604h Acidic alpha-glucosidase 2
21420866 10.1016/j.bmc.2011.02.028 Acidic alpha-glucosidase 1
21345683 10.1016/j.bmc.2011.01.052 Acidic alpha-glucosidase 1
20970346 10.1016/j.bmc.2010.09.059 Maltase-glucoamylase 1
20598536 10.1016/j.bmcl.2010.06.059 Unchecked 1
23031648 10.1016/j.bmc.2012.09.006 Acidic alpha-glucosidase 1
18258441 10.1016/j.bmc.2008.01.032 Glycogen debranching enzyme 1

Data from ChEMBL 36 via Core Engine