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

CHEMBL255356

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=C1CC(c2cccc(-n3cncn3)c2)=Nc2ccc(C#Cc3ccc(F)cc3)cc2N1

Basic Information

ChEMBL ID CHEMBL255356
Phase Preclinical
Structure Type MOL
InChI Key JFWHKBOYYMKFMW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.4
MW (Da)
4.27
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H16FN5O
MW 421.44
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.56

Activity Summary

IC50 1 meas. best 7.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
IC50 7.01 7.01 98.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18096387 10.1016/j.bmcl.2007.12.005 Metabotropic glutamate receptor 2 2

Data from ChEMBL 36 via Core Engine