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Compound Detail

CHEMBL392706

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CCOC(=O)CC(CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL392706
Phase Preclinical
Structure Type MOL
InChI Key RZJZSMOCWTXXTM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
7.31
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H38N2O2
MW 446.64
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
17459705 10.1016/j.bmcl.2007.04.009 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine