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Compound Detail

CHEMBL498449

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CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@]2(C)[C@@H]3C(=CC[C@@H]12)[C@H](C)O[C@H]3O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL498449
Phase Preclinical
Structure Type MOL
InChI Key FENUJOYRHRQVCD-SRXADPPGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

460.7
MW (Da)
4.85
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H44O5
MW 460.66
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 3.18

Literature References

PubMed DOI Target Context # Activities
10785432 10.1021/np990506z Gambusia affinis 1
10785432 10.1021/np990506z Unchecked 1

Data from ChEMBL 36 via Core Engine