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Compound Detail

CHEMBL179347

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OC[C@H]1NC[C@@H](O)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL179347
Phase Preclinical
Structure Type MOL
InChI Key LXBIFEVIBLOUGU-KAZBKCHUSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

163.2
MW (Da)
-2.97
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H13NO4
MW 163.17
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 2.44

Activity Summary

IC50 3 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.75 5.75 1800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1800.0 nM 5.75 Inhibition of Penicillium decumbens alpha-L-rhamnosidase assessed as p-nitrophen... 12502331

Literature References

PubMed DOI Target Context # Activities
23545138 10.1016/j.bmc.2013.03.004 Unchecked 13
15771446 10.1021/jm0495881 Beta-galactosidase 2
12502331 10.1021/np020296h Acidic alpha-glucosidase 2
12502331 10.1021/np020296h Unchecked 2
15771446 10.1021/jm0495881 Alpha-mannosidase 2
15771446 10.1021/jm0495881 Tissue alpha-L-fucosidase 1
23545138 10.1016/j.bmc.2013.03.004 Alpha-glucosidase 1
23545138 10.1016/j.bmc.2013.03.004 Glucosylceramidase 1
23545138 10.1016/j.bmc.2013.03.004 Tissue alpha-L-fucosidase 1
23545138 10.1016/j.bmc.2013.03.004 Beta-glucuronidase 1
15771446 10.1021/jm0495881 Alpha-glucosidase 1
12502331 10.1021/np020296h Tissue alpha-L-fucosidase 1
12502331 10.1021/np020296h Beta-mannosidase 1
12502331 10.1021/np020296h Beta-glucosidase A 1
12502331 10.1021/np020296h Oligo-1,6-glucosidase IMA1 1
15771446 10.1021/jm0495881 Sucrase-isomaltase, intestinal 1
12502331 10.1021/np020296h Beta-galactosidase 1
15771446 10.1021/jm0495881 Alpha-galactosidase C 1
15771446 10.1021/jm0495881 Alpha-galactosidase 1
15771446 10.1021/jm0495881 Beta-mannosidase 1

Data from ChEMBL 36 via Core Engine