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Compound Detail

CHEMBL515763

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Cc1nc2ccccc2nc1N/N=C/c1ccc(O)cc1

Basic Information

ChEMBL ID CHEMBL515763
Phase Preclinical
Structure Type MOL
InChI Key WDPUHMPVZBSBGB-LICLKQGHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
3.09
ALogP
5
HBA
2
HBD
70.4
PSA (Ų)
0.57
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 C16H14N4O
MW 278.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.07

Activity Summary

EC50 2 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 5.77 5.77 1700.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19097893 10.1016/j.bmcl.2008.11.104 Metabotropic glutamate receptor 4 4
21688779 10.1021/jm200290z Metabotropic glutamate receptor 4 2
19097893 10.1016/j.bmcl.2008.11.104 Metabotropic glutamate receptor 1 1
19097893 10.1016/j.bmcl.2008.11.104 Metabotropic glutamate receptor 2 1
19097893 10.1016/j.bmcl.2008.11.104 Metabotropic glutamate receptor 5 1
19097893 10.1016/j.bmcl.2008.11.104 Metabotropic glutamate receptor 7 1
19097893 10.1016/j.bmcl.2008.11.104 Metabotropic glutamate receptor 8 1

Data from ChEMBL 36 via Core Engine