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Compound Detail

CHEMBL1078068

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CCCCCCCCCC1O[C@H](CC/C(C)=C/COc2ccc3ccc(=O)oc3c2)C(C)(C)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1078068
Phase Preclinical
Structure Type MOL
InChI Key COFMHXHAPDJJRN-NLGYFSFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
7.56
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.16
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H42O5
MW 470.65
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 1.54

Literature References

PubMed DOI Target Context # Activities
19689106 10.1021/np900266m Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine