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

CHEMBL4874472

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(C)Oc1ccc(-c2cn3c(-c4ccc(OC(C)C)cc4)cnc3cc2C#N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4874472
Phase Preclinical
Structure Type MOL
InChI Key IQYKBLJKDWXZIU-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
6.11
ALogP
5
HBA
0
HBD
59.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25N3O2
MW 411.51
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.95

Activity Summary

EC50 3 meas. best 9.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Junin virus
CHEMBL4523072
 EC50 9.66 9.66 0.2 1
Machupo mammarenavirus
CHEMBL4888477
 EC50 9.6 9.6 0.2 1
Lassa virus
CHEMBL615051
 EC50 8.85 8.85 1.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Junin virus EC50 = 0.22 nM 9.66 Antiviral activity against pseudotyped Junin virus 33965007
Machupo mammarenavirus EC50 = 0.25 nM 9.6 Antiviral activity against pseudotyped Machupo virus 33965007
Lassa virus EC50 = 1.4 nM 8.85 Antiviral activity against pseudotyped Lassa mammarenavirus 33965007

Literature References

PubMed DOI Target Context # Activities
33965007 10.1016/j.bmcl.2021.127983 ADMET 6
33965007 10.1016/j.bmcl.2021.127983 Lassa virus 1
33965007 10.1016/j.bmcl.2021.127983 Machupo mammarenavirus 1
33965007 10.1016/j.bmcl.2021.127983 Junin virus 1
33965007 10.1016/j.bmcl.2021.127983 Vero 1

Data from ChEMBL 36 via Core Engine