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Compound Detail

CHEMBL590785

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Cc1c(O)ccc2c(CCl)cc(=O)oc12

Basic Information

ChEMBL ID CHEMBL590785
Phase Preclinical
Structure Type MOL
InChI Key JVVZWJIRFMWXCT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

224.6
MW (Da)
2.55
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H9ClO3
MW 224.64
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness 0.26

Activity Summary

IC50 1 meas. best 4.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.16 4.16 68700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 68700.0 nM 4.16 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