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Compound Detail

CHEMBL3715130

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Cc1cccc(Oc2ccc(-c3nnc(SCC(=O)O)[nH]3)cc2[N+](=O)[O-])c1

Basic Information

ChEMBL ID CHEMBL3715130
Phase Preclinical
Structure Type MOL
InChI Key KCSJZOUBRHTBPC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
3.66
ALogP
7
HBA
2
HBD
131.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N4O5S
MW 386.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.64

Activity Summary

IC50 1 meas. best 5.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G protein-coupled receptor kinase 6
CHEMBL6144
IC50 5.45 5.45 3580.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine