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Compound Detail

CHEMBL3892780

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C/C(=N\Nc1ncnc2sc3c(c12)CCCC3)c1cc(O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3892780
Phase Preclinical
Structure Type MOL
InChI Key IMZXEXALIANGGH-UFFVCSGVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.82
ALogP
7
HBA
3
HBD
90.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4O2S
MW 354.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
27474921 10.1016/j.ejmech.2016.07.035 Hepatitis C virus 4
27474921 10.1016/j.ejmech.2016.07.035 Unchecked 3
27474921 10.1016/j.ejmech.2016.07.035 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine