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Compound Detail

CHEMBL1325819

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C=CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1

Basic Information

ChEMBL ID CHEMBL1325819
Phase Preclinical
Structure Type MOL
InChI Key PYQWDQPEVCAOFG-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
4.39
ALogP
7
HBA
1
HBD
92.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N2O5S
MW 422.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.56

Activity Summary

EC50 4 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 6.07 6.07 851.0 1
Endoribonuclease toxin MazF
CHEMBL1795096
EC50 4.94 4.6467 11400.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine