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Compound Detail

CHEMBL1600506

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Cc1ccccc1Cn1c(O)c(N=NC(S)=Nc2ccccc2F)c2ccccc21

Basic Information

ChEMBL ID CHEMBL1600506
Phase Preclinical
Structure Type MOL
InChI Key XSJVYXNQHHZDJN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
6.54
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.17
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19FN4OS
MW 418.50
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.12

Activity Summary

EC50 1 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
EC50 6.06 6.06 870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine