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Compound Detail

CHEMBL256008

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O=C1CC(c2cccc(-n3nncc3CO)c2)=Nc2cc(O)c(C#Cc3ccc(F)cc3)cc2N1

Basic Information

ChEMBL ID CHEMBL256008
Phase Preclinical
Structure Type MOL
InChI Key MQFUNZCPKOUHQX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.5
MW (Da)
3.47
ALogP
7
HBA
3
HBD
112.6
PSA (Ų)
0.32
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H18FN5O3
MW 467.46
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.00

Activity Summary

IC50 1 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
IC50 6.42 6.42 378.0 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