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Compound Detail

CHEMBL4847352

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C#CCNC1CCc2c(SCc3cccc(Br)c3)cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4847352
Phase Preclinical
Structure Type MOL
InChI Key FROGWJNXHRLJNT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.3
MW (Da)
4.95
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18BrNS
MW 372.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
33887441 10.1016/j.bmcl.2021.128051 Amine oxidase [flavin-containing] B 2

Data from ChEMBL 36 via Core Engine