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Compound Detail

CHEMBL1092243

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N[C@@H](CCP(=O)(O)/C=C/C(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1092243
Phase Preclinical
Structure Type MOL
InChI Key YSSZPJMQTGZZCC-FYTLMZHYSA-N
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

237.2
MW (Da)
-0.34
ALogP
4
HBA
4
HBD
137.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H12NO6P
MW 237.15
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.04

Activity Summary

EC50 7 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
 EC50 6.0 5.76 1000.0 2
Metabotropic glutamate receptor 6
CHEMBL3842
 EC50 5.96 5.96 1100.0 1
Metabotropic glutamate receptor 8
CHEMBL2718
 EC50 5.29 5.215 5100.0 2
Metabotropic glutamate receptor 2
CHEMBL2851
 EC50 5.17 5.17 6700.0 1
Metabotropic glutamate receptor 7
CHEMBL3879
 EC50 4.37 4.37 43000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 4 EC50 = 1000.0 nM 6.0 Agonist activity at rat mGlu4 receptor expressed in HEK293 cells co-transfected ... 20218620
Metabotropic glutamate receptor 6 EC50 = 1100.0 nM 5.96 Agonist activity at rat mGlu6 receptor expressed in HEK293 cells co-transfected ... 20218620
Metabotropic glutamate receptor 4 EC50 = 3000.0 nM 5.52 Agonist activity at rat mGlu4 receptor expressed in HEK293 cells co-transfected ... 20218620
Metabotropic glutamate receptor 8 EC50 = 5100.0 nM 5.29 Agonist activity at rat mGlu8 receptor expressed in HEK293 cells co-transfected ... 20218620
Metabotropic glutamate receptor 2 EC50 = 6700.0 nM 5.17 Agonist activity at rat mGlu2 receptor expressed in HEK293 cells assessed as inc... 20218620
Metabotropic glutamate receptor 8 EC50 = 7200.0 nM 5.14 Agonist activity at rat mGlu8 receptor expressed in HEK293 cells co-transfected ... 20218620
Metabotropic glutamate receptor 7 EC50 = 43000.0 nM 4.37 Agonist activity at rat mGlu7 receptor expressed in HEK293 cells co-transfected ... 20218620

Literature References

PubMed DOI Target Context # Activities
20218620 10.1021/jm901523t Metabotropic glutamate receptor 4 2
20218620 10.1021/jm901523t Metabotropic glutamate receptor 8 2
20218620 10.1021/jm901523t Metabotropic glutamate receptor 2 2
20218620 10.1021/jm901523t Metabotropic glutamate receptor 6 1
20218620 10.1021/jm901523t Metabotropic glutamate receptor 7 1
20218620 10.1021/jm901523t Metabotropic glutamate receptor 1 1
20218620 10.1021/jm901523t Metabotropic glutamate receptor 5 1

Data from ChEMBL 36 via Core Engine