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Compound Detail

CHEMBL4760880

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C=C1[C@@H](OC(C)=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O

Basic Information

ChEMBL ID CHEMBL4760880
Phase Preclinical
Structure Type MOL
InChI Key UFOVAPDUKQBVNX-DZXOSCKVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
1.31
ALogP
8
HBA
3
HBD
122.5
PSA (Ų)
0.43
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 C24H34O8
MW 450.53
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 3.56

Literature References

PubMed DOI Target Context # Activities
32993289 10.1021/acs.jnatprod.9b01281 Unchecked 1
32993289 10.1021/acs.jnatprod.9b01281 BV-2 1

Data from ChEMBL 36 via Core Engine