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Compound Detail

CHEMBL4176579

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Nc1nc(N)nc(CSc2nnc(NCc3ccccc3)s2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4176579
Phase Preclinical
Structure Type MOL
InChI Key PVYFTISLSBDEKG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
1.79
ALogP
10
HBA
3
HBD
128.5
PSA (Ų)
0.57
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 C13H14N8S2
MW 346.45
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.31

Literature References

PubMed DOI Target Context # Activities
29396363 10.1016/j.ejmech.2017.11.032 rRNA adenine N-6-methyltransferase 2
29396363 10.1016/j.ejmech.2017.11.032 Escherichia coli 1

Data from ChEMBL 36 via Core Engine