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Compound Detail

CHEMBL589874

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O/N=C/C=C/c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL589874
Phase Preclinical
Structure Type MOL
InChI Key RUQDOYIAKHIMAN-DAAQNPAKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

147.2
MW (Da)
2.16
ALogP
2
HBA
1
HBD
32.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H9NO
MW 147.18
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.08

Literature References

PubMed DOI Target Context # Activities
32292565 10.1021/acsmedchemlett.0c00030 Candida albicans 4
19945872 10.1016/j.bmcl.2009.10.113 Transient receptor potential cation channel subfamily A member 1 3

Data from ChEMBL 36 via Core Engine