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Compound Detail

CHEMBL420049

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O=c1[nH]c(=O)n(C2CS[C@@H](CO)O2)cc1/C=C/Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL420049
Phase Preclinical
Structure Type MOL
InChI Key GDKCXUHZXJMDEJ-GGHRXOOBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.2
MW (Da)
0.48
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.84
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 C10H11BrN2O4S
MW 335.18
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 1.08

Literature References

PubMed DOI Target Context # Activities
10891113 10.1021/jm990543n ADMET 2
10891113 10.1021/jm990543n CCRF-CEM 1

Data from ChEMBL 36 via Core Engine