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Compound Detail

CHEMBL189221

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CC(C)(/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(O)CO)CCCCC#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL189221
Phase Preclinical
Structure Type MOL
InChI Key ZTSDQRLDVDKTQX-BVWPHFDZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

431.6
MW (Da)
5.56
ALogP
5
HBA
2
HBD
90.5
PSA (Ų)
0.17
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H41NO4
MW 431.62
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 1.06

Literature References

PubMed DOI Target Context # Activities
16078824 10.1021/jm058183t Fatty-acid amide hydrolase 1 1
16078824 10.1021/jm058183t Monoglyceride lipase 1

Data from ChEMBL 36 via Core Engine