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Compound Detail

CHEMBL1572330

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C=CCn1c(=S)[nH]c2cc(-c3ccccc3)sc2c1=O

Basic Information

ChEMBL ID CHEMBL1572330
Phase Preclinical
Structure Type MOL
InChI Key GGENUWAINMQXJG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
3.97
ALogP
4
HBA
1
HBD
37.8
PSA (Ų)
0.59
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 C15H12N2OS2
MW 300.41
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.52

Activity Summary

EC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
EC50 5.96 5.96 1110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine