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Compound Detail

CHEMBL3358043

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C=C[C@@H](O)C#Cc1c2c(cc3cc(OC)c(O)cc13)CO[C@H]2/C=C\CCCCCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3358043
Phase Preclinical
Structure Type MOL
InChI Key MLNJHTFIXWSQAA-NUULCDIRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.6
MW (Da)
5.94
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H32O4
MW 420.55
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 1.55

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