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Compound Detail

CHEMBL1798024

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CCCCc1ccc(-c2nc(C)c(C(=O)O)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1798024
Phase Preclinical
Structure Type MOL
InChI Key MUXONYPZNHDSQN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
4.16
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17NO2S
MW 275.37
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.27

Activity Summary

EC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine