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Compound Detail

CHEMBL204494

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O=C(c1ccccc1)N1N=C(c2cccs2)CC1c1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL204494
Phase Preclinical
Structure Type MOL
InChI Key NSRFGHDKVJDFJE-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
4.65
ALogP
5
HBA
0
HBD
75.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N3O3S
MW 377.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.81

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