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Compound Detail

CHEMBL3763922

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COc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)cc(Br)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3763922
Phase Preclinical
Structure Type MOL
InChI Key UVLJSUBDOJRJCJ-DJKKODMXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.3
MW (Da)
4.73
ALogP
6
HBA
2
HBD
66.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14BrN3O2S
MW 404.29
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
26822568 10.1016/j.bmc.2016.01.028 Unchecked 1

Data from ChEMBL 36 via Core Engine