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Compound Detail

CHEMBL4216866

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CO[C@H]1OC(=O)C(Cc2ccc(O)c(CC=C(C)C)c2)=C1c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4216866
Phase Preclinical
Structure Type MOL
InChI Key BIVNWUMPSCVWLT-QHCPKHFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
4.13
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H24O5
MW 380.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 1.72

Activity Summary

IC50 1 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha glucosidase
CHEMBL3833502
 IC50 5.06 5.06 8650.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha glucosidase IC50 = 8650.0 nM 5.06 Inhibition of alpha-glucosidase (unknown origin) using p-nitro-phenyl-alpha-D-gl... 29295795

Literature References

PubMed DOI Target Context # Activities
29295795 10.1016/j.bmcl.2017.12.049 Alpha glucosidase 1
29295795 10.1016/j.bmcl.2017.12.049 No relevant target 1

Data from ChEMBL 36 via Core Engine