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Compound Detail

CHEMBL6048993

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NC/C(=C/F)COc1ccc(-c2nc(N)n[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6048993
Phase Preclinical
Structure Type MOL
InChI Key QAPIQPICDMIKEY-YVMONPNESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
1.24
ALogP
5
HBA
3
HBD
102.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14FN5O
MW 263.28
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.93

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [copper-containing] 3
CHEMBL3437
 IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [copper-containing] 3 IC50 = 1.0 nM 9.0 Enzyme Activity Assay: The inhibition of the sample on VAP-enzyme activity was m... -

Data from ChEMBL 36 via Core Engine