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Compound Detail

CHEMBL1644708

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Cc1cc(=O)n2nc(COc3ccc(Br)cc3)sc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1644708
Phase Preclinical
Structure Type MOL
InChI Key FKOABTYKUNHAEV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.2
MW (Da)
2.80
ALogP
6
HBA
0
HBD
56.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10BrN3O2S
MW 352.21
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.21

Literature References

PubMed DOI Target Context # Activities
21163661 10.1016/j.bmc.2010.11.034 Xanthine dehydrogenase/oxidase 2
21163661 10.1016/j.bmc.2010.11.034 Unchecked 1

Data from ChEMBL 36 via Core Engine