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Compound Detail

CHEMBL4756539

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CC(=O)O[C@@H]1[C@@]2(CO2)[C@@H]2CC[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](OC(C)=O)[C@@](O)(OC5)[C@]13[C@@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4756539
Phase Preclinical
Structure Type MOL
InChI Key SPLGNQOZRWOLLS-TWLFWWSESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
1.55
ALogP
8
HBA
2
HBD
114.8
PSA (Ų)
0.48
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 3.09

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