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Compound Detail

CHEMBL272770

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CCCCCCCC/C=C\CCCCCCCC(=O)c1nc2ccncc2o1

Basic Information

ChEMBL ID CHEMBL272770
Phase Preclinical
Structure Type MOL
InChI Key YUKKCNDYUJUINO-KTKRTIGZSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

384.6
MW (Da)
7.44
ALogP
4
HBA
0
HBD
56.0
PSA (Ų)
0.17
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H36N2O2
MW 384.56
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.14

Activity Summary

Ki 3 meas. best 8.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 8.43 8.43 3.7 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18053726 10.1016/j.bmc.2007.11.015 Fatty-acid amide hydrolase 1 1
21764305 10.1016/j.bmcl.2011.06.096 Fatty-acid amide hydrolase 1 1
27766867 10.1021/acs.jmedchem.6b00538 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine