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Compound Detail

CHEMBL4562613

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CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4562613
Phase Preclinical
Structure Type MOL
InChI Key KPQMCAKZRXOZLB-ZOLRFCATSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

224.3
MW (Da)
1.60
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H20O3
MW 224.30
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 3.11

Literature References

PubMed DOI Target Context # Activities
31301930 10.1016/j.bmcl.2019.07.010 RAW264.7 1

Data from ChEMBL 36 via Core Engine