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Compound Detail

CHEMBL2093099

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](C)c1ccco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2093099
Phase Preclinical
Structure Type MOL
InChI Key FWFWHUDKQSGFOX-ZXOJQQQWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

398.6
MW (Da)
8.03
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.16
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H38O3
MW 398.59
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.39

Literature References

PubMed DOI Target Context # Activities
12672252 10.1021/jm0210818 Fatty-acid amide hydrolase 1 2
12672252 10.1021/jm0210818 Homo sapiens 1
12672252 10.1021/jm0210818 Cannabinoid receptor 1 1
12672252 10.1021/jm0210818 Cannabinoid receptor 2 1
12672252 10.1021/jm0210818 Transient receptor potential cation channel subfamily V member 1 1

Data from ChEMBL 36 via Core Engine