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

CHEMBL194732

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
CN1C(=O)C2NC(/C=C/c3cccc(Cl)c3)N(C)C2N(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL194732
Phase Preclinical
Structure Type MOL
InChI Key JTPRUPCZQCGCFK-BQYQJAHWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.8
MW (Da)
1.43
ALogP
4
HBA
1
HBD
55.9
PSA (Ų)
0.89
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 C16H19ClN4O2
MW 334.81
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.27

Activity Summary

Ki 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [flavin-containing] B
CHEMBL2039
 Ki 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [flavin-containing] B Ki = 100000.0 nM 4.0 Inhibition constant against human recombinant Monoamine oxidase-B 16137882

Literature References

PubMed DOI Target Context # Activities
16137882 10.1016/j.bmcl.2005.07.043 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine