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Compound Detail

CHEMBL77778

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N#CC(C#N)=Cc1ccc(/C=C/C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL77778
Phase Preclinical
Structure Type MOL
InChI Key FYUKHNUSVGJQFX-AATRIKPKSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

224.2
MW (Da)
2.21
ALogP
3
HBA
1
HBD
84.9
PSA (Ų)
0.63
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 C13H8N2O2
MW 224.22
Aromatic Rings 1
Heavy Atoms 17
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