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Compound Detail

CHEMBL2387747

CINNAMONITRILE
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N#C/C=C/c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2387747
Name CINNAMONITRILE
Phase Preclinical
Structure Type MOL
InChI Key ZWKNLRXFUTWSOY-QPJJXVBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

129.2
MW (Da)
2.22
ALogP
1
HBA
0
HBD
23.8
PSA (Ų)
0.53
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 C9H7N
MW 129.16
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
32292565 10.1021/acsmedchemlett.0c00030 Candida albicans 4
23682762 10.1021/jm400374q Unchecked 2

Data from ChEMBL 36 via Core Engine