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Compound Detail

CHEMBL4861882

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CC1=CC[C@H]([C@](C)(O)C/C=C/C(C)(C)O)CC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4861882
Phase Preclinical
Structure Type MOL
InChI Key PJTUFUCFUDAEPU-YYTFBVJBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
2.38
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H24O3
MW 252.35
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 2.71

Literature References

PubMed DOI Target Context # Activities
33667099 10.1021/acs.jnatprod.0c01121 RAW264.7 2

Data from ChEMBL 36 via Core Engine