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

CHEMBL553995

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
Cl.NC/C(=C/F)c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL553995
Phase Preclinical
Structure Type MOL
InChI Key RYUAAVLVGRUGKJ-ZULQGGHCSA-N
Parent Compound CHEMBL1195177
Active Moiety CHEMBL1195177
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

183.2
MW (Da)
1.37
ALogP
3
HBA
3
HBD
66.5
PSA (Ų)
0.61
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 C9H11ClFNO2
MW 219.64
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.71

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Monoamine oxidase
CHEMBL2095196
 IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Monoamine oxidase IC50 = 100.0 nM 7.0 Inhibitory activity against rat brain mitochondrial Monoamine oxidase 3968682

Literature References

PubMed DOI Target Context # Activities
3968682 10.1021/jm00380a007 Monoamine oxidase 2

Data from ChEMBL 36 via Core Engine