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Compound Detail

CHEMBL4167359

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O=C(Oc1ccccc1)N1CCN(CCn2ccc3cccnc32)CC1

Basic Information

ChEMBL ID CHEMBL4167359
Phase Preclinical
Structure Type MOL
InChI Key SGRGVLGSKPZCOI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
2.85
ALogP
5
HBA
0
HBD
50.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N4O2
MW 350.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.36

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30108777 10.1039/C6MD00683C Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine