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Compound Detail

CHEMBL4173217

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Cc1cc(S(N)(=O)=O)cc(NC(=O)Cn2cnc(C#N)n2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4173217
Phase Preclinical
Structure Type MOL
InChI Key TWJCDPHUELHBEO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
0.05
ALogP
7
HBA
2
HBD
143.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N6O3S
MW 334.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.59

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