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Compound Detail

CHEMBL3207466

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Cc1ccsc1/C=N/N(C)c1cnc2ccccc2n1

Basic Information

ChEMBL ID CHEMBL3207466
Phase Preclinical
Structure Type MOL
InChI Key HSOGRXYJWDCVNZ-RQZCQDPDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
3.47
ALogP
5
HBA
0
HBD
41.4
PSA (Ų)
0.55
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 C15H14N4S
MW 282.37
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.68

Activity Summary

EC50 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
EC50 6.75 6.75 180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine