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Compound Detail

CHEMBL2165089

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C#CCCCCCCCCCOC(=O)c1ccn(-c2cccc(OC(=O)NCCCCCCc3ccccc3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2165089
Phase Preclinical
Structure Type MOL
InChI Key MHXWVPQIDPBFMV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

556.8
MW (Da)
8.28
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.09
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H44N2O4
MW 556.75
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -0.62

Literature References

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

Data from ChEMBL 36 via Core Engine