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Compound Detail

CHEMBL4798923

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C=C1[C@@H]2CC[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](O)[C@@](O)(OC5)[C@]3(C2)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4798923
Phase Preclinical
Structure Type MOL
InChI Key UHBNMGQIULQLPQ-OMAVZJEXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

334.5
MW (Da)
2.23
ALogP
4
HBA
3
HBD
69.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H30O4
MW 334.46
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 4.00

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