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Compound Detail

CHEMBL2165087

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C#CCCCCCCCCCOC(=O)c1ccn(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2165087
Phase Preclinical
Structure Type MOL
InChI Key VRHSGEKHROXFBE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
6.81
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.20
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H38N2O4
MW 478.63
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
22779702 10.1021/jm300689c Fatty-acid amide hydrolase 1 5

Data from ChEMBL 36 via Core Engine