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Compound Detail

CHEMBL206516

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O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(c2cccs2)CC1c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL206516
Phase Preclinical
Structure Type MOL
InChI Key BYAPJMDTHMHWTA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

411.9
MW (Da)
5.30
ALogP
5
HBA
0
HBD
75.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14ClN3O3S
MW 411.87
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.98

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16539402 10.1021/jm051229y West Nile virus 1
16539402 10.1021/jm051229y BHK-21 1
16539402 10.1021/jm051229y ADMET 1

Data from ChEMBL 36 via Core Engine