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Compound Detail

CHEMBL1485892

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O=C(NC(=S)Nc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12

Basic Information

ChEMBL ID CHEMBL1485892
Phase Preclinical
Structure Type MOL
InChI Key GBUNKXLAABCGPL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
5.03
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17N3OS
MW 383.48
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.66

Activity Summary

EC50 1 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
EC50 6.42 6.42 380.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine