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

CHEMBL4160919

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
Cc1c2c(nn1-c1ccc(/C=N/NC(N)=S)cc1)-c1ccccc1S(=O)(=O)N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4160919
Phase Preclinical
Structure Type MOL
InChI Key JXWXLLVIIINQPO-SRZZPIQSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
2.15
ALogP
6
HBA
2
HBD
105.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N6O2S2
MW 426.53
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.97

Activity Summary

IC50 1 meas. best 4.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [flavin-containing] A
CHEMBL1951
 IC50 4.51 4.51 31200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [flavin-containing] A IC50 = 31200.0 nM 4.51 Inhibition of human MAOA pre-incubated for 10 mins before p-tyramine substrate a... 30108763

Literature References

PubMed DOI Target Context # Activities
30108763 10.1039/C6MD00570E Amine oxidase [flavin-containing] A 2
30108763 10.1039/C6MD00570E Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine