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Compound Detail

CHEMBL3358040

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C=C[C@@H](O)C#CC#C[C@H](/C=C\CCCCCCC)O[C@]1(C)CC[C@@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H](O)[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3358040
Phase Preclinical
Structure Type MOL
InChI Key VHAGCXAWJKINRQ-ZEUIFALDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

498.8
MW (Da)
5.80
ALogP
4
HBA
3
HBD
69.9
PSA (Ų)
0.19
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C32H50O4
MW 498.75
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 2.53

Literature References

PubMed DOI Target Context # Activities
25333853 10.1021/np500605v Peroxisome proliferator-activated receptor gamma 1
25333853 10.1021/np500605v RAW264.7 1

Data from ChEMBL 36 via Core Engine