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Compound Detail

CHEMBL514223

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Cc1ccc(CSc2nnc(CSc3nc4nc(C)ccn4n3)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL514223
Phase Preclinical
Structure Type MOL
InChI Key UEUFNSVZRZOHQU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
3.71
ALogP
9
HBA
0
HBD
82.0
PSA (Ų)
0.47
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 C17H16N6OS2
MW 384.49
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -2.66

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