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Compound Detail

CHEMBL467614

ASCARIDOLE
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CC(C)C12C=CC(C)(CC1)OO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467614
Name ASCARIDOLE
Phase Preclinical
Structure Type MOL
InChI Key MGYMHQJELJYRQS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

168.2
MW (Da)
2.45
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.44
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 C10H16O2
MW 168.24
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 3.25

Literature References

PubMed DOI Target Context # Activities
33325703 10.1021/acs.jnatprod.0c01137 Unchecked 7
11975490 10.1021/np010445g Trypanosoma cruzi 4
8350087 10.1021/np50096a007 NON-PROTEIN TARGET 3
- 10.1584/jpestics.G06-44 Aphelenchoides besseyi 2
- 10.1584/jpestics.G06-44 Meloidogyne incognita 2
33325703 10.1021/acs.jnatprod.0c01137 Mus musculus 2
33325703 10.1021/acs.jnatprod.0c01137 ADMET 1

Data from ChEMBL 36 via Core Engine