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Compound Detail

CHEMBL4437320

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Cc1[nH]nc2c1C(c1ccc(O)c(OCc3ccccc3)c1)C(C#N)=C(N)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4437320
Phase Preclinical
Structure Type MOL
InChI Key VNXOXAKDDIJMCV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
3.22
ALogP
6
HBA
3
HBD
117.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N4O3
MW 374.40
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 4.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.22 4.22 60000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 60000.0 nM 4.22 Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-d-glucopyranosid... 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