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Compound Detail

CHEMBL2164600

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CC(C)(C)c1ccc(Oc2cccc(CN3CCN(C(=O)Nc4ccccc4)CC3)c2)cc1

Basic Information

ChEMBL ID CHEMBL2164600
Phase Preclinical
Structure Type MOL
InChI Key CXZLQDSHLUWMFD-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.6
MW (Da)
6.13
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33N3O2
MW 443.59
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.58

Activity Summary

IC50 4 meas. best 7.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 7.34 7.22 46.0 3
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 7.12 7.12 75.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24900385 10.1021/ml300186g Fatty-acid amide hydrolase 1 2

Data from ChEMBL 36 via Core Engine