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Compound Detail

CHEMBL43727

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C#CCN(C)Cc1cn(Cc2ccccc2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL43727
Phase Preclinical
Structure Type MOL
InChI Key UHOUBRIMZVCXJD-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
3.75
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N2
MW 288.39
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.42

Activity Summary

Ki 4 meas.

Literature References

PubMed DOI Target Context # Activities
10794685 10.1021/jm991164x Amine oxidase [flavin-containing] A 2
10794685 10.1021/jm991164x Amine oxidase [flavin-containing] B 2

Data from ChEMBL 36 via Core Engine