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Compound Detail

CHEMBL79064

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N#CC(C#N)=C(O)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL79064
Phase Preclinical
Structure Type MOL
InChI Key QKWKRLBPKAPACD-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

186.2
MW (Da)
1.71
ALogP
4
HBA
2
HBD
88.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H6N2O2
MW 186.17
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.29

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
2552117 10.1021/jm00130a020 Epidermal growth factor receptor 1
1479375 10.1021/np50089a001 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine