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Compound Detail

CHEMBL1398052

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CCCCC1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CO1

Basic Information

ChEMBL ID CHEMBL1398052
Phase Preclinical
Structure Type MOL
InChI Key ITAOWTIRVWJJKZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
3.73
ALogP
6
HBA
0
HBD
69.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18O5S
MW 358.42
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.24

Activity Summary

EC50 2 meas. best 4.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.51 4.51 30949.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.45 4.45 35372.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine