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Compound Detail

CHEMBL519222

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C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL519222
Phase Preclinical
Structure Type MOL
InChI Key PJYWFBGSJPGTAM-ACKRQZOBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

468.7
MW (Da)
6.62
ALogP
3
HBA
1
HBD
71.4
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H44O4
MW 468.68
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 3.12

Literature References

PubMed DOI Target Context # Activities
16124770 10.1021/np050182g Oxysterols receptor LXR-alpha 3
16124770 10.1021/np050182g Oxysterols receptor LXR-beta 3

Data from ChEMBL 36 via Core Engine