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Compound Detail

CHEMBL80157

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COCCOCCOCC(=O)NCCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL80157
Phase Preclinical
Structure Type MOL
InChI Key IZZUSNRPSSRZEB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
3.32
ALogP
7
HBA
3
HBD
115.3
PSA (Ų)
0.21
QED
0
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H44N2O7
MW 496.65
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
8360883 10.1021/jm00068a016 Vanilloid receptor 1

Data from ChEMBL 36 via Core Engine