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Compound Detail

CHEMBL5071749

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C#CC(=O)N(c1ccc2ncsc2c1)C(C(=O)NCc1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5071749
Phase Preclinical
Structure Type MOL
InChI Key IEACMXYVZZHKRP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
4.32
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19N3O2S
MW 425.51
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.54

Activity Summary

EC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Huh-7
CHEMBL614039
 EC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Huh-7 EC50 = 100.0 nM 7.0 Antiproliferative activity against human Huh-7 cells after 24 hrs by Cell Titer ... -

Data from ChEMBL 36 via Core Engine