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Compound Detail

CHEMBL5869993

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COC(=O)CN1CCc2cc(OC/C(=C\F)CN)ccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5869993
Phase Preclinical
Structure Type MOL
InChI Key XDDIFRUGRICHQL-XFFZJAGNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
1.05
ALogP
5
HBA
1
HBD
81.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19FN2O4
MW 322.34
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.56

Activity Summary

IC50 1 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [copper-containing] 3
CHEMBL3437
 IC50 8.89 8.89 1.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [copper-containing] 3 IC50 = 1.3 nM 8.89 Biological Assay: 1. Determination of Inhibitory Activity of Human Recombinant S... -

Data from ChEMBL 36 via Core Engine