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

CHEMBL16320

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)/C=C1\N=C(CC(C)C)C(=O)N(O)C1=O

Basic Information

ChEMBL ID CHEMBL16320
Phase Preclinical
Structure Type MOL
InChI Key SIXHCCPAJIVTOY-UITAMQMPSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
1.77
ALogP
4
HBA
1
HBD
70.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H18N2O3
MW 238.29
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.48

Activity Summary

IC50 6 meas. best 5.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polymerase acidic protein
CHEMBL1169598
IC50 5.29 5.275 5100.0 4
Unchecked
CHEMBL612545
IC50 5.26 5.26 5495.4 1
unidentified influenza virus
CHEMBL613128
IC50 5.26 5.26 5500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12646026 10.1021/jm020334u Polymerase acidic protein 1
19112024 10.1016/j.bmc.2008.11.075 unidentified influenza virus 1
11485475 10.1021/jo015665d Polymerase acidic protein 1
24365156 10.1016/j.bmcl.2013.12.026 Unchecked 1
- 10.1039/C5MD00439J Polymerase acidic protein 1
28118010 10.1021/acs.jmedchem.6b01227 Polymerase acidic protein 1

Data from ChEMBL 36 via Core Engine