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Compound Detail

CHEMBL490698

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C=C[C@@H](O)C#CC#C[C@@H](O)/C=C\CCCCCCCCOC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490698
Phase Preclinical
Structure Type MOL
InChI Key VVURZXYIXNNJCG-KOIKSQSCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
2.75
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.26
QED
0
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 C20H28O4
MW 332.44
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 2.05

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16441065 10.1021/np058080d Unchecked 6
16643021 10.1021/np050301s 5-hydroxytryptamine receptor 7 2
16441065 10.1021/np058080d Raji 1

Data from ChEMBL 36 via Core Engine