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Compound Detail

CHEMBL78005

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N#CC(C#N)=Cc1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL78005
Phase Preclinical
Structure Type MOL
InChI Key AWMFEYQOEQDZKO-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

198.2
MW (Da)
1.85
ALogP
4
HBA
0
HBD
66.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H6N2O2
MW 198.18
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.49

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