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Compound Detail

CHEMBL4435626

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Cc1cc(C)c2c(c1)/C(=N/NC(=O)COc1ccc3ccc(=O)oc3c1)C(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4435626
Phase Preclinical
Structure Type MOL
InChI Key QQJYAJICRDXREP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.4
MW (Da)
2.26
ALogP
6
HBA
2
HBD
110.0
PSA (Ų)
0.52
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 C21H17N3O5
MW 391.38
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha glucosidase
CHEMBL3833502
 IC50 5.6 5.6 2500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha glucosidase IC50 = 2500.0 nM 5.6 Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glu... 31112894

Literature References

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

Data from ChEMBL 36 via Core Engine