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Compound Detail

CHEMBL1540015

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Cc1onc(-c2ccccc2)c1C(=O)NC(=S)Nc1sc2c(c1C#N)CCC(C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1540015
Phase Preclinical
Structure Type MOL
InChI Key YHHQZLFZISHRPF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.6
MW (Da)
4.83
ALogP
6
HBA
2
HBD
91.0
PSA (Ų)
0.57
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 C22H20N4O2S2
MW 436.56
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -2.20

Activity Summary

EC50 1 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 EC50 6.07 6.07 860.0 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 = 860.0 nM 6.07 PUBCHEM_BIOASSAY: Confirmation Dose Response screen for compounds that protect h... -

Data from ChEMBL 36 via Core Engine