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Compound Detail

CHEMBL77280

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

Basic Information

ChEMBL ID CHEMBL77280
Phase Preclinical
Structure Type MOL
InChI Key UDNNQFHSLNHDGH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

183.2
MW (Da)
2.09
ALogP
3
HBA
1
HBD
73.6
PSA (Ų)
0.53
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 C11H9N3
MW 183.21
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.15

Literature References

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

Data from ChEMBL 36 via Core Engine