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Compound Detail

CHEMBL76082

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N#CC(C#N)=Cc1cc2c(cc1[N+](=O)[O-])OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL76082
Phase Preclinical
Structure Type MOL
InChI Key SRYYXVFONUYVLR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

243.2
MW (Da)
1.75
ALogP
6
HBA
0
HBD
109.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H5N3O4
MW 243.18
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.07

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2552117 10.1021/jm00130a020 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine