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Compound Detail

CHEMBL2071308

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O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL2071308
Phase Preclinical
Structure Type MOL
InChI Key GZORMMCZSCNNCI-QPFSIERHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

610.5
MW (Da)
1.43
ALogP
14
HBA
8
HBD
236.8
PSA (Ų)
0.08
QED
3
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H26O14
MW 610.52
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness 1.77

Activity Summary

EC50 1 meas. best 4.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C2C12
CHEMBL612655
EC50 4.86 4.86 13800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C2C12 EC50 = 13800.0 nM 4.86 Increase in glucose uptake in mouse C2C12 cells incubated for 18 hrs using [3H]-... 22738356

Literature References

PubMed DOI Target Context # Activities
22738356 10.1021/np3001317 C2C12 2

Data from ChEMBL 36 via Core Engine