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

CHEMBL4078652

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
N#Cc1cc([N+](=O)[O-])ccc1Oc1ncn(-c2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4078652
Phase Preclinical
Structure Type MOL
InChI Key AGXDMNAPSKYHTE-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

307.3
MW (Da)
2.84
ALogP
7
HBA
0
HBD
106.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9N5O3
MW 307.27
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.97

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
28870395 10.1016/j.bmcl.2017.08.056 Poliovirus 1 1
28870395 10.1016/j.bmcl.2017.08.056 HEp-2 1
28870395 10.1016/j.bmcl.2017.08.056 Coxsackievirus B1 1
28870395 10.1016/j.bmcl.2017.08.056 Coxsackievirus B3 1
28870395 10.1016/j.bmcl.2017.08.056 Unchecked 1

Data from ChEMBL 36 via Core Engine