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Compound Detail

CHEMBL2165085

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

Basic Information

ChEMBL ID CHEMBL2165085
Phase Preclinical
Structure Type MOL
InChI Key CWDSLFLGSRBKHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

452.6
MW (Da)
6.28
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.20
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H36N2O4
MW 452.60
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.79

Literature References

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

Data from ChEMBL 36 via Core Engine