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Compound Detail

CHEMBL356324

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N#C/C(=C\c1ccc(O)c(O)c1)S(=O)(=O)/C(C#N)=C/c1ccc(O)c(O)c1

Basic Information

ChEMBL ID CHEMBL356324
Phase Preclinical
Structure Type MOL
InChI Key JMRYQFOYVAUPPK-ACFHMISVSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
2.35
ALogP
8
HBA
4
HBD
162.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12N2O6S
MW 384.37
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.01

Activity Summary

IC50 3 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 6.42 5.68 380.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8960549 10.1021/jm960225d Epidermal growth factor receptor 3

Data from ChEMBL 36 via Core Engine