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

CHEMBL136287

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
Nc1nc2ccc(/C(=N/Nc3ccccc3)c3ccccc3)nn2c1-c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL136287
Phase Preclinical
Structure Type MOL
InChI Key BHSMKMRAPBOHJS-JJKYIXSRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
4.98
ALogP
6
HBA
2
HBD
80.6
PSA (Ų)
0.31
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19FN6
MW 422.47
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.35

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Picornaviridae
CHEMBL613008
 IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Picornaviridae IC50 = 10000.0 nM 5.0 Antiviral activity against Human picornavirus 19112024

Literature References

PubMed DOI Target Context # Activities
13678411 10.1021/jm020583i rhinovirus B14 2
19112024 10.1016/j.bmc.2008.11.075 Picornaviridae 1

Data from ChEMBL 36 via Core Engine