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Compound Detail

CHEMBL591670

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CC(=O)c1cc2cc(-c3cccnc3)ccc2oc1=O

Basic Information

ChEMBL ID CHEMBL591670
Phase Preclinical
Structure Type MOL
InChI Key DLNWXVRUWLYYGB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
3.06
ALogP
4
HBA
0
HBD
60.2
PSA (Ų)
0.53
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 C16H11NO3
MW 265.27
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.62

Activity Summary

IC50 1 meas. best 4.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.24 4.24 58100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 58100.0 nM 4.24 Inhibition of rat intestinal alpha-glucosidase after 5 mins by spectrophotometry 19932027

Literature References

PubMed DOI Target Context # Activities
19932027 10.1016/j.bmc.2009.10.047 Unchecked 2
19932027 10.1016/j.bmc.2009.10.047 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine