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Compound Detail

CHEMBL6048376

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NC/C(=C/F)COc1ccc(-c2nc(CC(F)(F)F)n[nH]2)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6048376
Phase Preclinical
Structure Type MOL
InChI Key DYMNIVZADRFZEG-YVMONPNESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.3
MW (Da)
2.91
ALogP
4
HBA
2
HBD
76.8
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 C14H13F5N4O
MW 348.27
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.26

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-enzyme activity was m... -

Data from ChEMBL 36 via Core Engine