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

CHEMBL453078

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

Basic Information

ChEMBL ID CHEMBL453078
Phase Preclinical
Structure Type MOL
InChI Key ZHFMVVUVCALAMY-KLVWXMOXSA-N

Known Names

(2S,3S,4R,5S)-3,4,5-Trihydroxypipecolicacid
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
1
Known Names

Molecular Properties

177.2
MW (Da)
-2.87
ALogP
5
HBA
5
HBD
110.0
PSA (Ų)
0.29
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 C6H11NO5
MW 177.16
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.55

Activity Summary

IC50 2 meas. best 4.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.07 4.07 86000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 86000.0 nM 4.07 Inhibition of bovine liver beta-glucuronidase 18703340
Unchecked IC50 = 86000.0 nM 4.07 Inhibition of bovine liver beta-glucuronidase 31835168

Literature References

PubMed DOI Target Context # Activities
18703340 10.1016/j.bmc.2008.06.016 Unchecked 4
18703340 10.1016/j.bmc.2008.06.016 Cytosolic endo-beta-N-acetylglucosaminidase 1
18703340 10.1016/j.bmc.2008.06.016 Alpha-N-acetylgalactosaminidase 1
31835168 10.1016/j.ejmech.2019.111921 Unchecked 1

Data from ChEMBL 36 via Core Engine