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Compound Detail

CHEMBL559470

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Cc1ccc(CNC(=O)Oc2ccc(C3=NCCO3)cc2)cc1

Basic Information

ChEMBL ID CHEMBL559470
Phase Preclinical
Structure Type MOL
InChI Key UMAAANIJPQFDNN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.06
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.94
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 C18H18N2O3
MW 310.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.80

Activity Summary

IC50 2 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 6.75 6.75 180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19232787 10.1016/j.ejmech.2009.01.007 Monoglyceride lipase 2
19232787 10.1016/j.ejmech.2009.01.007 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine