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Compound Detail

CHEMBL3958799

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O=C(Nc1ccccc1)N1CCN(Cc2ccc3ccc4cccc5ccc2c3c45)CC1

Basic Information

ChEMBL ID CHEMBL3958799
Phase Preclinical
Structure Type MOL
InChI Key ULKPJSOZTZPHHP-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
5.93
ALogP
2
HBA
1
HBD
35.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25N3O
MW 419.53
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.14

Activity Summary

IC50 4 meas. best 7.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 7.02 6.615 95.0 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine