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Compound Detail

CHEMBL272081

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Cc1ccccc1CN1CCC(CCCC(=O)c2ncco2)CC1

Basic Information

ChEMBL ID CHEMBL272081
Phase Preclinical
Structure Type MOL
InChI Key TWBHBSWMKLDWHD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
4.25
ALogP
4
HBA
0
HBD
46.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N2O2
MW 326.44
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.80

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 1200.0 nM 5.92 Inhibition of human FAAH 18289847

Literature References

PubMed DOI Target Context # Activities
18289847 10.1016/j.bmcl.2008.01.091 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine