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Compound Detail

CHEMBL5801027

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NC/C(=C/F)COc1ccc(-c2nc(C3(F)CC3)n[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5801027
Phase Preclinical
Structure Type MOL
InChI Key OJTDMFULNSWAFM-YFHOEESVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
2.62
ALogP
4
HBA
2
HBD
76.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16F2N4O
MW 306.32
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.76

Activity Summary

IC50 1 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [copper-containing] 3
CHEMBL3437
 IC50 9.52 9.52 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [copper-containing] 3 IC50 = 0.3 nM 9.52 Enzyme Activity Assay: The inhibition of the sample on VAP-enzyme activity was m... -

Data from ChEMBL 36 via Core Engine