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Compound Detail

CHEMBL181890

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CCC(O)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL181890
Phase Preclinical
Structure Type MOL
InChI Key WEKMUBUZJDWJIR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

152.2
MW (Da)
1.84
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.68
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 C9H12O2
MW 152.19
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.72

Literature References

PubMed DOI Target Context # Activities
15780639 10.1016/j.bmcl.2005.01.070 Mus musculus 2

Data from ChEMBL 36 via Core Engine