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Compound Detail

CHEMBL3190811

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Sc1nc(-c2ccccc2)cn1/N=C/c1cccc2ccccc12

Basic Information

ChEMBL ID CHEMBL3190811
Phase Preclinical
Structure Type MOL
InChI Key MUEJPLOMHIPDET-FYJGNVAPSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
4.87
ALogP
4
HBA
1
HBD
30.2
PSA (Ų)
0.42
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 C20H15N3S
MW 329.43
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.32

Activity Summary

EC50 3 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
EC50 6.16 6.16 700.0 1
Streptokinase A
CHEMBL1293228
EC50 4.61 4.61 24785.0 1
Streptococcus sp. 'group A'
CHEMBL612389
EC50 4.05 4.05 89083.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine