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Compound Detail

CHEMBL4641347

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Cc1cccc(NC(=O)CSc2nnc(CCCc3c[nH]c4ccccc34)o2)c1C

Basic Information

ChEMBL ID CHEMBL4641347
Phase Preclinical
Structure Type MOL
InChI Key FRRMQOAPJAKRFS-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
5.07
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N4O2S
MW 420.54
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.84

Activity Summary

IC50 2 meas. best 5.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha glucosidase
CHEMBL3833502
IC50 5.02 5.02 9460.0 1
Unchecked
CHEMBL612545
IC50 5.02 5.02 9460.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32008883 10.1016/j.bmc.2019.115263 Unchecked 1
34192642 10.1016/j.ejmech.2021.113665 Alpha glucosidase 1

Data from ChEMBL 36 via Core Engine