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Compound Detail

CHEMBL524631

HYACINTHACINE B3
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C[C@@H]1C[C@@H](O)[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N21

Basic Information

ChEMBL ID CHEMBL524631
Name HYACINTHACINE B3
Phase Preclinical
Structure Type MOL
InChI Key PIBHCJDPQRCONN-MVEQLIQHSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

203.2
MW (Da)
-2.09
ALogP
5
HBA
4
HBD
84.2
PSA (Ų)
0.39
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 C9H17NO4
MW 203.24
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 2.41

Activity Summary

IC50 2 meas. best 4.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lactase/phlorizin hydrolase
CHEMBL3389
IC50 4.75 4.75 18000.0 1
Unchecked
CHEMBL612545
IC50 4.29 4.29 51000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12502331 10.1021/np020296h Unchecked 3
12502331 10.1021/np020296h Acidic alpha-glucosidase 2
12502331 10.1021/np020296h Lactase/phlorizin hydrolase 1
12502331 10.1021/np020296h Tissue alpha-L-fucosidase 1
12502331 10.1021/np020296h Beta-galactosidase 1
12502331 10.1021/np020296h Beta-glucosidase A 1
12502331 10.1021/np020296h Oligo-1,6-glucosidase IMA1 1

Data from ChEMBL 36 via Core Engine