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Compound Detail

CHEMBL304432

NITROSCANATE
🧪 Phase II
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🧪 Phase II
O=[N+]([O-])c1ccc(Oc2ccc(N=C=S)cc2)cc1

Basic Information

ChEMBL ID CHEMBL304432
Name NITROSCANATE
Phase Phase II
Structure Type MOL
InChI Key SVMGVZLUIWGYPH-UHFFFAOYSA-N

Known Names

CGA-23654 Nitroscanate Nitroscanato
1
Targets
9
Activities
1
Assay Types
0
PK Parameters
1
Publications
3
Known Names

Molecular Properties

272.3
MW (Da)
4.12
ALogP
5
HBA
0
HBD
64.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1976

Extended Properties

Molecular Formula C13H8N2O3S
MW 272.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.11

Activity Summary

IC50 9 meas. best 5.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.97 5.6756 1065.4 9

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2769679 10.1021/jm00129a007 Taenia crassiceps 1

Data from ChEMBL 36 via Core Engine