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Compound Detail

CHEMBL3937026

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CN(C)CC(=O)N1CCn2c(CCc3ccccc3)c(C(F)(F)F)c3cccc(c32)C1

Basic Information

ChEMBL ID CHEMBL3937026
Phase Preclinical
Structure Type MOL
InChI Key GFASAZHPYNPNGE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
4.35
ALogP
3
HBA
0
HBD
28.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26F3N3O
MW 429.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.91

Activity Summary

IC50 2 meas. best 6.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endothelial lipase
CHEMBL5080
IC50 6.02 6.02 959.0 1
Endothelial lipase
CHEMBL2380190
IC50 6.0 6.0 1001.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine