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Compound Detail

CHEMBL4435180

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O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc(-c2nnc(-c3cc(O)cc(O)c3)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4435180
Phase Preclinical
Structure Type MOL
InChI Key RKPUBTXMKVVMMQ-GXHLCREISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.8
MW (Da)
4.96
ALogP
6
HBA
3
HBD
108.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H14ClN3O4
MW 431.84
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.43

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha glucosidase
CHEMBL3833502
 IC50 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha glucosidase IC50 = 1200.0 nM 5.92 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