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Compound Detail

CHEMBL3717328

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N#Cc1cccc(-c2nnc(SCC(=O)O)[nH]2)c1

Basic Information

ChEMBL ID CHEMBL3717328
Phase Preclinical
Structure Type MOL
InChI Key FVURUACWELKKLB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

260.3
MW (Da)
1.52
ALogP
5
HBA
2
HBD
102.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H8N4O2S
MW 260.28
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.98

Activity Summary

IC50 1 meas. best 5.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G protein-coupled receptor kinase 6
CHEMBL6144
IC50 5.64 5.64 2310.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine