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Compound Detail

CHEMBL373814

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O=C(CCCCCCc1ccccc1)c1ncc(-c2ccc([N+](=O)[O-])cc2)o1

Basic Information

ChEMBL ID CHEMBL373814
Phase Preclinical
Structure Type MOL
InChI Key HSRNGWUJIIATGJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
5.63
ALogP
5
HBA
0
HBD
86.2
PSA (Ų)
0.20
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N2O4
MW 378.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.67

Activity Summary

Ki 2 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
Ki 7.3 7.3 50.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17279740 10.1021/jm0611509 Fatty-acid amide hydrolase 1 1
18983142 10.1021/jm800311k Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine