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Compound Detail

CHEMBL1328261

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CCN=C(S)N=NC1=C(O)c2cccc3cccc1c23

Basic Information

ChEMBL ID CHEMBL1328261
Phase Preclinical
Structure Type MOL
InChI Key WKNYINCNHDHIHZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
4.29
ALogP
3
HBA
2
HBD
57.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13N3OS
MW 283.36
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.10

Activity Summary

EC50 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
EC50 6.58 6.58 260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine