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

CHEMBL38739

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=C1NC(=O)/C(=C/c2c[nH]c3ccccc23)N1

Basic Information

ChEMBL ID CHEMBL38739
Phase Preclinical
Structure Type MOL
InChI Key WJZHVBZSCOLDKV-YHYXMXQVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

227.2
MW (Da)
1.35
ALogP
2
HBA
3
HBD
74.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H9N3O2
MW 227.22
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.20

Activity Summary

IC50 1 meas. best 4.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interferon-induced, double-stranded RNA-activated protein kinase
CHEMBL5785
IC50 4.98 4.98 10500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22077389 10.1021/jm201243p Unchecked 3
14998338 10.1021/jm030450c Mus musculus 2
21632247 10.1016/j.bmcl.2011.04.149 Interferon-induced, double-stranded RNA-activated protein kinase 1
22077389 10.1021/jm201243p Prothrombin 1
37348572 10.1016/j.bmcl.2023.129383 Aryl hydrocarbon receptor 1

Data from ChEMBL 36 via Core Engine