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Compound Detail

CHEMBL517046

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COC(=O)c1sc(-c2ccccc2)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL517046
Phase Preclinical
Structure Type MOL
InChI Key VHJZCEJBOOOTIS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
2.91
ALogP
4
HBA
0
HBD
39.2
PSA (Ų)
0.75
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 C12H11NO2S
MW 233.29
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.84

Literature References

PubMed DOI Target Context # Activities
21612931 10.1016/j.bmc.2011.04.041 Yellow fever virus 2
18610998 10.1021/jm800412d Yellow fever virus 1
21612931 10.1016/j.bmc.2011.04.041 ADMET 1

Data from ChEMBL 36 via Core Engine