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

CHEMBL202948

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
O=C(Cc1ccc(Cl)cc1)N1N=C(c2ccco2)CC1c1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL202948
Phase Preclinical
Structure Type MOL
InChI Key QGUZIOXBCLTTES-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

443.7
MW (Da)
5.62
ALogP
3
HBA
0
HBD
45.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16BrClN2O2
MW 443.73
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.51

Activity Summary

EC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
West Nile virus
CHEMBL613730
 EC50 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
West Nile virus EC50 = 20000.0 nM 4.7 Inhibition of West Nile viral Rluc-Neo-Rep in BHK21 cell line 16539402

Literature References

PubMed DOI Target Context # Activities
16539402 10.1021/jm051229y West Nile virus 1
16539402 10.1021/jm051229y BHK-21 1
16539402 10.1021/jm051229y ADMET 1

Data from ChEMBL 36 via Core Engine