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

CHEMBL1940454

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
CC(=O)Nc1ccc(-c2nc3cc4cccnc4c(Cl)c3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1940454
Phase Preclinical
Structure Type MOL
InChI Key NJJCRUXRCIORPF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

336.8
MW (Da)
4.39
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.57
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 C18H13ClN4O
MW 336.78
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.34

Activity Summary

EC50 2 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 4.96 4.96 11000.0 1
Reovirus sp.
CHEMBL613721
 EC50 4.29 4.29 51000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 11000.0 nM 4.96 Antiviral activity against Bovine viral diarrhea virus 1-NADL infected in MDBK c... 22047799
Reovirus sp. EC50 = 51000.0 nM 4.29 Antiviral activity against Reovirus type-1 3651 infected in hamster BHK21 cells ... 22047799

Literature References

PubMed DOI Target Context # Activities
22047799 10.1016/j.bmc.2011.10.009 NON-PROTEIN TARGET 2
22047799 10.1016/j.bmc.2011.10.009 MT4 1
22047799 10.1016/j.bmc.2011.10.009 Human immunodeficiency virus 1 1
22047799 10.1016/j.bmc.2011.10.009 ADMET 1
22047799 10.1016/j.bmc.2011.10.009 BHK-21 1
22047799 10.1016/j.bmc.2011.10.009 Yellow fever virus 1
22047799 10.1016/j.bmc.2011.10.009 Reovirus sp. 1
22047799 10.1016/j.bmc.2011.10.009 Vero 1
22047799 10.1016/j.bmc.2011.10.009 Coxsackievirus B5 1
22047799 10.1016/j.bmc.2011.10.009 Poliovirus 1 1
22047799 10.1016/j.bmc.2011.10.009 Human orthopneumovirus 1
22047799 10.1016/j.bmc.2011.10.009 Vesicular stomatitis Indiana virus 1
22047799 10.1016/j.bmc.2011.10.009 Human alphaherpesvirus 1 1

Data from ChEMBL 36 via Core Engine