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Compound Detail

CHEMBL1531791

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O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1531791
Phase Preclinical
Structure Type MOL
InChI Key VIBXULIECXHSSF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.8
MW (Da)
4.49
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.78
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 C15H10ClF3N2OS
MW 358.77
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.29

Activity Summary

EC50 1 meas. best 6.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 EC50 6.62 6.62 240.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Voltage-gated inwardly rectifying potassium channel KCNH2 EC50 = 240.0 nM 6.62 PUBCHEM_BIOASSAY: Confirmation Dose Response screen for compounds that protect h... -

Data from ChEMBL 36 via Core Engine