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Compound Detail

CHEMBL509134

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Clc1cccc(-c2nc(-c3ccc(-c4ccon4)s3)no2)c1

Basic Information

ChEMBL ID CHEMBL509134
Phase Preclinical
Structure Type MOL
InChI Key JGYAIAVLTGPCGO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.8
MW (Da)
4.77
ALogP
6
HBA
0
HBD
65.0
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 C15H8ClN3O2S
MW 329.77
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.90

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2
CHEMBL4100
IC50 6.0 6.0 1000.0 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