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Compound Detail

CHEMBL5426001

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C=C1CC/C=C(\C)CC[C@@H]2C([C@@H](O)C/C=C(\C)COC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5426001
Phase Preclinical
Structure Type MOL
InChI Key GRFYMBDLHHKUFB-GCAYLLJTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
4.36
ALogP
6
HBA
1
HBD
82.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34O6
MW 418.53
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 3.02

Literature References

PubMed DOI Target Context # Activities
38537009 10.1021/acs.jnatprod.3c00942 Transient receptor potential cation channel subfamily M member 7 1

Data from ChEMBL 36 via Core Engine