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Compound Detail

CHEMBL5795814

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N#Cc1ccc(N2CCc3cc(OC/C(=C/F)CN)ccc3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5795814
Phase Preclinical
Structure Type MOL
InChI Key ULOQRQKZKLGBHG-XNTDXEJSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
2.95
ALogP
4
HBA
1
HBD
79.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18FN3O2
MW 351.38
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 9.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [copper-containing] 3
CHEMBL3437
 IC50 9.17 9.17 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [copper-containing] 3 IC50 = 0.68 nM 9.17 Biological Assay: 1. Determination of Inhibitory Activity of Human Recombinant S... -

Data from ChEMBL 36 via Core Engine