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Compound Detail

CHEMBL1223582

GLYCYBENZOFURAN
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COc1c(CC=C(C)C)c(O)cc(O)c1-c1oc2cc(O)ccc2c1C

Basic Information

ChEMBL ID CHEMBL1223582
Name GLYCYBENZOFURAN
Phase Preclinical
Structure Type MOL
InChI Key OEIIVGQLDAYZNT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
5.04
ALogP
5
HBA
3
HBD
83.1
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H22O5
MW 354.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 1.59

Activity Summary

IC50 1 meas. best 4.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein phosphatase non-receptor type 1
CHEMBL335
IC50 4.59 4.59 25500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20724155 10.1016/j.bmcl.2010.07.110 Tyrosine-protein phosphatase non-receptor type 1 5
24047800 10.1016/j.bmcl.2013.08.102 Tyrosine-protein phosphatase non-receptor type 1 1
24047800 10.1016/j.bmcl.2013.08.102 Dual specificity protein phosphatase 3 1
24047800 10.1016/j.bmcl.2013.08.102 Tyrosine-protein phosphatase non-receptor type 2 1

Data from ChEMBL 36 via Core Engine