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

CHEMBL6020248

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)COc1ccc(-c2nc(CC(F)(F)F)n[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6020248
Phase Preclinical
Structure Type MOL
InChI Key NXOIWDZFTMUQLX-RMKNXTFCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
2.77
ALogP
4
HBA
2
HBD
76.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14F4N4O
MW 330.28
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [copper-containing] 3
CHEMBL3437
 IC50 9.4 9.4 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [copper-containing] 3 IC50 = 0.4 nM 9.4 Enzyme Activity Assay:: The inhibition of the sample on VAP-1 enzyme activity wa... -

Data from ChEMBL 36 via Core Engine