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

CHEMBL536949

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
CNc1ccccc1CN.Cl.Cl

Basic Information

ChEMBL ID CHEMBL536949
Phase Preclinical
Structure Type MOL
InChI Key YEIAUZWEWLKKEP-UHFFFAOYSA-N
Parent Compound CHEMBL1188626
Active Moiety CHEMBL1188626
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

136.2
MW (Da)
1.19
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H14Cl2N2
MW 209.12
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -0.36

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15689151 10.1021/jm0408316 Diamine oxidase [copper-containing] 1
15689151 10.1021/jm0408316 Amine oxidase [copper-containing] 3 1
15689151 10.1021/jm0408316 Amine oxidase [flavin-containing] B 1
15689151 10.1021/jm0408316 Primary amine oxidase 1
15689151 10.1021/jm0408316 Peroxisomal primary amine oxidase 1

Data from ChEMBL 36 via Core Engine