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

CHEMBL1631887

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
Cc1c(O)ccc2c(O)c(C3=C(c4c(O)c5ccc(O)c(C)c5oc4=O)C(=O)C=CC3=O)c(=O)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1631887
Phase Preclinical
Structure Type MOL
InChI Key SDGVFMJGAULPDK-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

488.4
MW (Da)
2.96
ALogP
10
HBA
4
HBD
175.5
PSA (Ų)
0.24
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H16O10
MW 488.40
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness 0.52

Activity Summary

IC50 1 meas. best 5.55
Ki 1 meas. best 5.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.55 5.55 2820.0 1
Unchecked
CHEMBL612545
 Ki 5.32 5.32 4810.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 2820.0 nM 5.55 Inhibition of alpha-glucosidase using para-nitrophenyl substrate 21053896
Unchecked Ki = 4810.0 nM 5.32 Competitive inhibition of alpha-glucosidase by Lineweaver-Burk plot 21053896

Literature References

PubMed DOI Target Context # Activities
21053896 10.1021/jm100757r Unchecked 15

Data from ChEMBL 36 via Core Engine