Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL6009947

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
NC/C(=C/F)COc1ccc2c(c1)CCN(C1CCOCC1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6009947
Phase Preclinical
Structure Type MOL
InChI Key FRNVWLVHOPPEPZ-RAXLEYEMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
2.05
ALogP
4
HBA
1
HBD
64.8
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 C18H23FN2O3
MW 334.39
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.38

Activity Summary

IC50 1 meas. best 9.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [copper-containing] 3
CHEMBL3437
 IC50 9.24 9.24 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [copper-containing] 3 IC50 = 0.58 nM 9.24 Biological Assay: 1. Determination of Inhibitory Activity of Human Recombinant S... -

Data from ChEMBL 36 via Core Engine