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Compound Detail

CHEMBL78533

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

Basic Information

ChEMBL ID CHEMBL78533
Phase Preclinical
Structure Type MOL
InChI Key SBFFPOWNFONUBK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

419.6
MW (Da)
7.28
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H45NO3
MW 419.65
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.05

Literature References

PubMed DOI Target Context # Activities
8410971 10.1021/jm00070a002 Mus musculus 4
12166946 10.1021/jm020844o Transient receptor potential cation channel subfamily V member 1 2
30176215 10.1021/acs.jmedchem.8b00734 Transient receptor potential cation channel subfamily V member 2 2
8360883 10.1021/jm00068a016 Vanilloid receptor 1
8410971 10.1021/jm00070a002 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine