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Compound Detail

CHEMBL1688954

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Nc1cc(S)nc(N)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1688954
Phase Preclinical
Structure Type MOL
InChI Key SOUUDGAWOJKDRN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

142.2
MW (Da)
-0.07
ALogP
5
HBA
3
HBD
77.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H6N4S
MW 142.19
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -0.63

Literature References

PubMed DOI Target Context # Activities
20921305 10.1128/aac.01029-10 Bacillus anthracis 3
20921305 10.1128/aac.01029-10 J774.A1 1

Data from ChEMBL 36 via Core Engine