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Compound Detail

CHEMBL4794964

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COc1ccc(NC(=S)NNc2nc3ccccc3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4794964
Phase Preclinical
Structure Type MOL
InChI Key UBQZAGNJTCRXTD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
3.62
ALogP
5
HBA
3
HBD
58.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N4OS2
MW 330.44
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.44

Literature References

PubMed DOI Target Context # Activities
27161177 10.1016/j.ejmech.2016.03.078 MES-SA 2
27161177 10.1016/j.ejmech.2016.03.078 MES-SA/Dx5 2
27161177 10.1016/j.ejmech.2016.03.078 KB 3-1 2
27161177 10.1016/j.ejmech.2016.03.078 KB-V1 2

Data from ChEMBL 36 via Core Engine