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Compound Detail

CHEMBL4587809

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Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4587809
Phase Preclinical
Structure Type MOL
InChI Key GKDPRBSCSASNKW-WQLSENKSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
2.35
ALogP
3
HBA
1
HBD
59.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11NO3
MW 253.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.11

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1000.0 nM 6.0 Inhibition of yeast alpha-glucosidase 31112894

Literature References

PubMed DOI Target Context # Activities
31112894 10.1016/j.ejmech.2019.04.025 Unchecked 1

Data from ChEMBL 36 via Core Engine