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Compound Detail

CHEMBL3982333

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O=C(Nc1ccccc1)N1CCN(Cc2cccc(Oc3ccc4ccccc4c3)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3982333
Phase Preclinical
Structure Type MOL
InChI Key CLKNFYXWKCCEJY-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
5.98
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.42
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 C28H27N3O2
MW 437.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.38

Activity Summary

IC50 2 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
 IC50 7.48 7.48 33.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 33.0 nM 7.48 Biological Assay: Assay Method 1: T84 frozen pellets (contents of 1-4x15 cm cult... -
Fatty-acid amide hydrolase 1 IC50 = 33.0 nM 7.48 Biological Assay: Assay Method 1: T84 frozen pellets (contents of 1-4x15 cm cult... -

Data from ChEMBL 36 via Core Engine