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Compound Detail

CHEMBL475623

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O=[N+]([O-])c1cc(-c2nc(-c3ccccn3)no2)cs1

Basic Information

ChEMBL ID CHEMBL475623
Phase Preclinical
Structure Type MOL
InChI Key WEEMTLZDWQOOKJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
2.77
ALogP
7
HBA
0
HBD
95.0
PSA (Ų)
0.54
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 C11H6N4O3S
MW 274.26
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -2.41

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2
CHEMBL4100
IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19303309 10.1016/j.bmc.2009.02.049 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2 2

Data from ChEMBL 36 via Core Engine