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

CHEMBL45768

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
C#CCN(Cc1ccccc1)Cc1cn(Cc2ccccc2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL45768
Phase Preclinical
Structure Type MOL
InChI Key KEFBOBCOJZZLTJ-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
5.33
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N2
MW 364.49
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.35

Activity Summary

Ki 2 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