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Compound Detail

CHEMBL5436076

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

Basic Information

ChEMBL ID CHEMBL5436076
Phase Preclinical
Structure Type MOL
InChI Key IPEGEQFPPKOGCW-FVXAJHPBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
3.13
ALogP
5
HBA
1
HBD
76.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30O5
MW 374.48
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 2.64

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