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Compound Detail

CHEMBL1202333

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Br.N=c1sc2ccccc2n1CCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1202333
Phase Preclinical
Structure Type MOL
InChI Key HWVMTIHIJIGILA-UHFFFAOYSA-N
Parent Compound CHEMBL579186
Active Moiety CHEMBL579186
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

194.3
MW (Da)
1.17
ALogP
4
HBA
2
HBD
49.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H11BrN2OS
MW 275.17
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
19502068 10.1016/j.bmc.2009.05.039 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine