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Compound Detail

CHEMBL1452945

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

Basic Information

ChEMBL ID CHEMBL1452945
Phase Preclinical
Structure Type MOL
InChI Key KGISDRAVHYRWIC-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
4.23
ALogP
7
HBA
1
HBD
92.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O5S
MW 410.45
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.76

Activity Summary

EC50 3 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 5.89 5.89 1273.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 5.85 5.85 1411.0 1
Endoribonuclease toxin MazF
CHEMBL1795096
EC50 4.77 4.77 16900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine