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Compound Detail

CHEMBL76979

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COc1cc(/C=C(\C#N)C(=O)O)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL76979
Phase Preclinical
Structure Type MOL
InChI Key NDBVLMVMOJCWHU-FPYGCLRLSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

249.2
MW (Da)
1.40
ALogP
5
HBA
2
HBD
99.8
PSA (Ų)
0.62
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 C12H11NO5
MW 249.22
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.17

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
2552117 10.1021/jm00130a020 Epidermal growth factor receptor 2

Data from ChEMBL 36 via Core Engine