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

CHEMBL4779415

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
CS(=O)(=O)N1CCCC1CNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4779415
Phase Preclinical
Structure Type MOL
InChI Key SXEJGTMLSPHRPR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

477.3
MW (Da)
2.06
ALogP
8
HBA
3
HBD
132.9
PSA (Ų)
0.25
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18BrFN6O4S
MW 477.32
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.89

Activity Summary

IC50 1 meas. best 6.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Indoleamine 2,3-dioxygenase 1
CHEMBL4685
 IC50 6.32 6.32 480.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Indoleamine 2,3-dioxygenase 1 IC50 = 480.1 nM 6.32 Inhibition of recombinant human IDO1 assessed as reduction in kynurenine product... 31981851

Literature References

PubMed DOI Target Context # Activities
31981851 10.1016/j.ejmech.2020.112059 Indoleamine 2,3-dioxygenase 1 1

Data from ChEMBL 36 via Core Engine