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

CHEMBL1161993

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
CNC(CN)C12CC3CC(CC(C3)C1)C2.O=C(O)/C=C\C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1161993
Phase Preclinical
Structure Type MOL
InChI Key IBYAELAVTGOFNN-BTJKTKAUSA-N
Parent Compound CHEMBL1200010
Active Moiety CHEMBL1200010
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

208.3
MW (Da)
1.75
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H28N2O4
MW 324.42
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.10

Activity Summary

EC50 1 meas. best 4.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Influenza A virus
CHEMBL613740
 EC50 4.25 4.25 56800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Influenza A virus EC50 = 56800.0 nM 4.25 Antiviral activity against influenza A virus (H3N2)-induced cytopathogenicity in... 17113287

Literature References

PubMed DOI Target Context # Activities
17113287 10.1016/j.bmcl.2006.10.092 Influenza A virus 2
17113287 10.1016/j.bmcl.2006.10.092 MDCK 1
17113287 10.1016/j.bmcl.2006.10.092 Influenza B virus 1

Data from ChEMBL 36 via Core Engine