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Compound Detail

CHEMBL307250

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COc1cc(/C=C(\C#N)C(=O)O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL307250
Phase Preclinical
Structure Type MOL
InChI Key VBHMEVXDNSXEME-XBXARRHUSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

219.2
MW (Da)
1.39
ALogP
4
HBA
2
HBD
90.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H9NO4
MW 219.20
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.25

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