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Compound Detail

CHEMBL507522

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O=C(Nc1ccccc1)[C@]12C[C@H]1/C(=N\O)c1ccccc1O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL507522
Phase Preclinical
Structure Type MOL
InChI Key FPXPIEZPAXSELW-RGNAGUPPSA-N
2
Targets
9
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
2.65
ALogP
4
HBA
2
HBD
70.9
PSA (Ų)
0.66
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 C17H14N2O3
MW 294.31
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.03

Activity Summary

EC50 9 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
 EC50 5.85 5.5171 1400.0 7
Metabotropic glutamate receptor 4
CHEMBL2787
 EC50 5.69 5.62 2030.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 4 EC50 = 1400.0 nM 5.85 Positive allosteric modulator activity at mGlu4 receptor (unknown origin) 26231155
Metabotropic glutamate receptor 4 EC50 = 2030.0 nM 5.69 Activity at rat mGluR4 receptor expressed in HEK293 cells assessed as effect on ... 19469556
Metabotropic glutamate receptor 4 EC50 = 2250.0 nM 5.65 Positive allosteric modulation of recombinant human mGlu4 receptor expressed in ... 28902994
Metabotropic glutamate receptor 4 EC50 = 2500.0 nM 5.6 Positive allosteric modulation of recombinant human mGlu4 receptor expressed in ... 28902994
Metabotropic glutamate receptor 4 EC50 = 2820.0 nM 5.55 Positive allosteric modulation of rat mGluR4 expressed in CHO cells coexpressing... 21247167
Metabotropic glutamate receptor 4 EC50 = 3100.0 nM 5.51 Positive allosteric modulation of human mGlu4 receptor expressed in BHK cells as... 21688779
Metabotropic glutamate receptor 4 EC50 = 4100.0 nM 5.39 Activity at human mGluR4 expressed in CHO coexpressing Gqi5 assessed as potentia... 18793851
Metabotropic glutamate receptor 4 EC50 = 4740.0 nM 5.32 Positive allosteric modulation of human mGluR4 expressed in CHO cells coexpressi... 21247167
Metabotropic glutamate receptor 4 EC50 = 5000.0 nM 5.3 Positive allosteric modulation of human mGluR4 expressed in CHO-K1 cells assesse... 20638279

Literature References

PubMed DOI Target Context # Activities
19469556 10.1021/jm9005065 Metabotropic glutamate receptor 4 6
21247167 10.1021/jm101271s Metabotropic glutamate receptor 4 2
21688779 10.1021/jm200290z Metabotropic glutamate receptor 4 2
28902994 10.1021/acs.jmedchem.7b00991 Metabotropic glutamate receptor 4 2
18793851 10.1016/j.bmcl.2008.08.087 Metabotropic glutamate receptor 4 1
18793851 10.1016/j.bmcl.2008.08.087 Metabotropic glutamate receptor 5 1
18793851 10.1016/j.bmcl.2008.08.087 Metabotropic glutamate receptor 1 1
19097893 10.1016/j.bmcl.2008.11.104 Metabotropic glutamate receptor 1 1
19097893 10.1016/j.bmcl.2008.11.104 Metabotropic glutamate receptor 4 1
20638279 10.1016/j.bmcl.2010.06.078 Metabotropic glutamate receptor 4 1
26231155 10.1016/j.bmcl.2015.07.031 Metabotropic glutamate receptor 4 1
28902994 10.1021/acs.jmedchem.7b00991 Metabotropic glutamate receptor 1 1

Data from ChEMBL 36 via Core Engine