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

CHEMBL600457

GLABRONE
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(ccc(-c3coc4cc(O)ccc4c3=O)c2O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL600457
Name GLABRONE
Phase Preclinical
Structure Type MOL
InChI Key COLMVFWKLOZOOP-UHFFFAOYSA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

336.3
MW (Da)
4.06
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.70
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 C20H16O5
MW 336.34
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 2.09

Activity Summary

IC50 8 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.16 6.045 70.0 2
Neuraminidase
CHEMBL6135
 IC50 6.4 5.5475 400.0 4
Influenza A virus
CHEMBL613740
 IC50 4.46 4.46 34700.0 1
Tyrosine-protein phosphatase non-receptor type 1
CHEMBL335
 IC50 4.18 4.18 66300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 70.0 nM 7.16 Inhibition of Clostridium perfringens neuraminidase by chemiluminescence based a... 24313801
Neuraminidase IC50 = 400.0 nM 6.4 Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by ch... 24313801
Neuraminidase IC50 = 3220.0 nM 5.49 Inhibition of Influenza A virus J/8178/09 neuraminidase by chemiluminescence bas... 24313801
Neuraminidase IC50 = 5340.0 nM 5.27 Inhibition of Influenza A virus (A/Hong Kong/1/1968(H3N2)) neuraminidase by chem... 24313801
Neuraminidase IC50 = 9420.0 nM 5.03 Inhibition of oseltamivir-resistant Influenza A virus H1N1 B/55/08 neuraminidase... 24313801
Unchecked IC50 = 11700.0 nM 4.93 Inhibition of Clostridium perfringens neuraminidase by fluorescence based assay 24313801
Influenza A virus IC50 = 34700.0 nM 4.46 Antiviral activity against Influenza A virus J/8178/09 infected in MDCK cells as... 24313801
Tyrosine-protein phosphatase non-receptor type 1 IC50 = 66300.0 nM 4.18 Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate 24047800

Literature References

PubMed DOI Target Context # Activities
24313801 10.1021/np400817j Neuraminidase 5
24313801 10.1021/np400817j Unchecked 2
24313801 10.1021/np400817j No relevant target 2
24313801 10.1021/np400817j Influenza A virus 2
28522265 10.1016/j.bmc.2017.05.009 RAW264.7 1
28140583 10.1021/acs.jnatprod.6b00783 SW480 1
28140583 10.1021/acs.jnatprod.6b00783 Unchecked 1
28140583 10.1021/acs.jnatprod.6b00783 RAW264.7 1
28140583 10.1021/acs.jnatprod.6b00783 Nuclear factor erythroid 2-related factor 2 1
28140583 10.1021/acs.jnatprod.6b00783 Tyrosinase 1
28140583 10.1021/acs.jnatprod.6b00783 Tyrosine-protein phosphatase non-receptor type 1 1
28835349 10.1016/j.bmc.2017.08.018 Nuclear factor erythroid 2-related factor 2 1
28522265 10.1016/j.bmc.2017.05.009 Mushroom tyrosinase 1
28522265 10.1016/j.bmc.2017.05.009 Tyrosine-protein phosphatase non-receptor type 1 1
28522265 10.1016/j.bmc.2017.05.009 Unchecked 1
20022509 10.1016/j.bmc.2009.11.027 Peroxisome proliferator-activated receptor gamma 1
28522265 10.1016/j.bmc.2017.05.009 HepG2 1
28522265 10.1016/j.bmc.2017.05.009 SW480 1
28522265 10.1016/j.bmc.2017.05.009 MCF7 1
24313801 10.1021/np400817j MDCK 1

Data from ChEMBL 36 via Core Engine