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Compound Detail

CHEMBL514393

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Cc1ccn2nc(SCc3nnc(SCc4cccc(Cl)c4)o3)nc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL514393
Phase Preclinical
Structure Type MOL
InChI Key QIXXNVAZGSIOQZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.9
MW (Da)
4.05
ALogP
9
HBA
0
HBD
82.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13ClN6OS2
MW 404.91
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -2.98

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17618711 10.1016/j.ejmech.2007.04.021 Rhizoctonia solani 2

Data from ChEMBL 36 via Core Engine