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Compound Detail

CHEMBL175695

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CCCCCCCCCCCCCC(=O)c1ncc(-c2ccccn2)o1

Basic Information

ChEMBL ID CHEMBL175695
Phase Preclinical
Structure Type MOL
InChI Key CZDQFSCARAYQAZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.5
MW (Da)
6.62
ALogP
4
HBA
0
HBD
56.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H32N2O2
MW 356.51
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.49

Activity Summary

Ki 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15771430 10.1021/jm049614v Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine