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Compound Detail

CHEMBL4445451

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CCCN1C(=O)/C(=N\NC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4445451
Phase Preclinical
Structure Type MOL
InChI Key XIPBEEJSVKYMSR-NKFKGCMQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.3
MW (Da)
3.81
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17Cl2N3O2
MW 390.27
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.87

Activity Summary

IC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha glucosidase
CHEMBL3833502
 IC50 5.66 5.66 2200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha glucosidase IC50 = 2200.0 nM 5.66 Inhibition of alpha-glucosidase (unknown origin) 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