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

CHEMBL480477

GLABRIDIN
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
CC1(C)C=Cc2c(ccc3c2OC[C@@H](c2ccc(O)cc2O)C3)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL480477
Name GLABRIDIN
Phase Preclinical
Structure Type MOL
InChI Key LBQIJVLKGVZRIW-ZDUSSCGKSA-N
6
Targets
8
Activities
2
Assay Types
1
PK Parameters
20
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
4.00
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.83
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 C20H20O4
MW 324.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 2.50

Activity Summary

IC50 7 meas. best 7.05
Ki 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosinase
CHEMBL1973
 IC50 7.05 7.05 90.0 1
Mushroom tyrosinase
CHEMBL6066154
 IC50 7.0 7.0 100.0 1
Transthyretin
CHEMBL3194
 IC50 5.19 5.19 6400.0 1
Cytochrome P450 3A4
CHEMBL340
 Ki 5.16 5.16 7000.0 1
Unchecked
CHEMBL612545
 IC50 4.67 4.67 21400.0 1
Tyrosine-protein phosphatase non-receptor type 1
CHEMBL335
 IC50 4.34 4.2633 46000.0 3

Pharmacokinetic Data

Parameter Value Units Species
Ka 2.4 10'5/M Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosinase IC50 = 90.0 nM 7.05 Inhibition of tyrosinase (unknown origin) using L-tyrosine as substrate preincub... 28140583
Mushroom tyrosinase IC50 = 100.0 nM 7.0 Inhibition of mushroom tyrosinase using L-tyrosine as substrate incubated for 15... 28522265
Transthyretin IC50 = 6400.0 nM 5.19 Inhibition of transthyretin V30M mutant (unknown origin) expressed in Escherichi... 24422526
Cytochrome P450 3A4 Ki = 7000.0 nM 5.16 Mechanism based inhibition of human cytochrome P450 CYP3A4 measured by 7BFC O-de... 16248836
Unchecked IC50 = 21400.0 nM 4.67 Inhibition of NFkappaB transcription in human SW480 cells at by luciferase repor... 26841168
Tyrosine-protein phosphatase non-receptor type 1 IC50 = 46000.0 nM 4.34 Inhibition Assay: The degree of inhibition activity for PTP1B was investigated b... -
Tyrosine-protein phosphatase non-receptor type 1 IC50 = 48000.0 nM 4.32 Inhibition Assay: The degree of inhibition activity for PTP1B was investigated b... -
Tyrosine-protein phosphatase non-receptor type 1 IC50 = 73400.0 nM 4.13 Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate 24047800

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00527B Staphylococcus aureus 29
10654410 10.1021/np990051d Unchecked 4
23623675 10.1016/j.bmc.2013.02.055 Serum paraoxonase/arylesterase 1 4
26841168 10.1021/acs.jnatprod.5b00877 Unchecked 3
7381508 10.1021/np50008a004 Escherichia coli 2
28522265 10.1016/j.bmc.2017.05.009 Mushroom tyrosinase 2
28140583 10.1021/acs.jnatprod.6b00783 Tyrosinase 2
31427220 10.1016/j.bmcl.2019.07.048 Nakaseomyces glabratus 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
31427220 10.1016/j.bmcl.2019.07.048 Candida albicans 2
31427220 10.1016/j.bmcl.2019.07.048 Candida parapsilosis 2
31427220 10.1016/j.bmcl.2019.07.048 Pichia kudriavzevii 2
31427220 10.1016/j.bmcl.2019.07.048 Cryptococcus neoformans 2
16248836 10.2174/138920005774330639 Cytochrome P450 3A4 2
35489224 10.1016/j.ejmech.2022.114405 Mus musculus 2
31427220 10.1016/j.bmcl.2019.07.048 Candida tropicalis 2
7381508 10.1021/np50008a004 Staphylococcus aureus 2
24422526 10.1021/jm401832j Transthyretin 1
24047800 10.1016/j.bmcl.2013.08.102 Tyrosine-protein phosphatase non-receptor type 1 1
7381508 10.1021/np50008a004 Mycolicibacterium smegmatis 1

Data from ChEMBL 36 via Core Engine