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Compound Detail

CHEMBL602936

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CN(CCC(c1ccccc1)c1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL602936
Phase Preclinical
Structure Type MOL
InChI Key FJLFZEKGZNUNFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
5.25
ALogP
4
HBA
0
HBD
72.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O4
MW 390.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
20099888 10.1021/jm9016976 Fatty-acid amide hydrolase 1 1
20099888 10.1021/jm9016976 Monoglyceride lipase 1
20099888 10.1021/jm9016976 Monoacylglycerol lipase ABHD6 1

Data from ChEMBL 36 via Core Engine