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Compound Detail

CHEMBL5419232

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CC(=O)CC(c1ccc(Br)cc1)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5419232
Phase Preclinical
Structure Type MOL
InChI Key QNBPENOMCNOYFO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.4
MW (Da)
4.20
ALogP
5
HBA
2
HBD
101.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21BrN4O3
MW 481.35
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.58

Activity Summary

IC50 1 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha-glucosidase
CHEMBL5291954
 IC50 4.89 4.89 12800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha-glucosidase IC50 = 12800.0 nM 4.89 Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alp... 36680985

Literature References

PubMed DOI Target Context # Activities
36680985 10.1016/j.ejmech.2023.115119 Alpha-glucosidase 1

Data from ChEMBL 36 via Core Engine