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Compound Detail

CHEMBL5742801

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NC/C(=C\F)COc1ccc2c(c1)CCN(CC1CCOCC1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5742801
Phase Preclinical
Structure Type MOL
InChI Key WYGCWUKUBVDFMG-XNTDXEJSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
2.30
ALogP
4
HBA
1
HBD
64.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25FN2O3
MW 348.42
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.48

Activity Summary

IC50 1 meas. best 9.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [copper-containing] 3
CHEMBL3437
 IC50 9.66 9.66 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [copper-containing] 3 IC50 = 0.22 nM 9.66 Biological Assay: 1. Determination of Inhibitory Activity of Human Recombinant S... -

Data from ChEMBL 36 via Core Engine