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Compound Detail

CHEMBL2376229

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Cc1ccc(C)n1Cc1ccc(-c2nnn(C(=O)N(C)C)n2)cc1

Basic Information

ChEMBL ID CHEMBL2376229
Phase Preclinical
Structure Type MOL
InChI Key ZYSLHCQKVJHFIG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
2.34
ALogP
6
HBA
0
HBD
68.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N6O
MW 324.39
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.72

Activity Summary

IC50 2 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 6.85 6.85 140.0 1
Monoglyceride lipase
CHEMBL4191
IC50 6.85 6.85 140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23455058 10.1016/j.ejmech.2013.01.050 Fatty-acid amide hydrolase 1 1
23455058 10.1016/j.ejmech.2013.01.050 Monoglyceride lipase 1

Data from ChEMBL 36 via Core Engine