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Compound Detail

CHEMBL255151

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O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2cc(OCCO)c(C#Cc3ccccc3)cc2N1

Basic Information

ChEMBL ID CHEMBL255151
Phase Preclinical
Structure Type MOL
InChI Key VLBYHFRQWRWEEI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.5
MW (Da)
4.11
ALogP
6
HBA
2
HBD
88.7
PSA (Ų)
0.44
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 C28H22N4O3
MW 462.51
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
IC50 7.19 7.19 64.0 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