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Compound Detail

CHEMBL2205242

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CC(CC(=O)O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2205242
Phase Preclinical
Structure Type MOL
InChI Key ZZEWMYILWXCRHZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

164.2
MW (Da)
2.26
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H12O2
MW 164.20
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.07

Literature References

PubMed DOI Target Context # Activities
22925447 10.1016/j.bmc.2012.07.043 U-937 3
22925447 10.1016/j.bmc.2012.07.043 No relevant target 1

Data from ChEMBL 36 via Core Engine