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Compound Detail

CHEMBL4522488

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O=c1c2ccccc2nc(SCc2cn(Cc3ccc(Br)cc3)nn2)n1CCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4522488
Phase Preclinical
Structure Type MOL
InChI Key DFJQCCDNWOKLJJ-UHFFFAOYSA-N
0
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

532.5
MW (Da)
5.33
ALogP
7
HBA
0
HBD
65.6
PSA (Ų)
0.20
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22BrN5OS
MW 532.47
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.92

Activity Summary

IC50 3 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
36680985 10.1016/j.ejmech.2023.115119 Alpha-glucosidase 2
31300317 10.1016/j.bmc.2019.07.005 Unchecked 1
32008883 10.1016/j.bmc.2019.115263 Unchecked 1

Data from ChEMBL 36 via Core Engine