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Compound Detail

CHEMBL475390

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O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cccs1

Basic Information

ChEMBL ID CHEMBL475390
Phase Preclinical
Structure Type MOL
InChI Key RLTNIWJCLHLMDP-XYOKQWHBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
3.00
ALogP
6
HBA
0
HBD
81.8
PSA (Ų)
0.38
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 C14H8N2O4S
MW 300.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.07

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2
CHEMBL4100
IC50 4.92 4.92 12000.0 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