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Compound Detail

CHEMBL551243

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CC(=O)OCCSC[C@H]1O[C@@H](n2cnc3c(F)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL551243
Phase Preclinical
Structure Type MOL
InChI Key RRCMSICMNKEGDN-SCFUHWHPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.4
MW (Da)
1.02
ALogP
12
HBA
0
HBD
131.7
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21FN4O7S
MW 456.45
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
17954686 10.1128/aac.00480-07 Trypanosoma brucei brucei 4

Data from ChEMBL 36 via Core Engine