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Compound Detail

CHEMBL1089515

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

Basic Information

ChEMBL ID CHEMBL1089515
Phase Preclinical
Structure Type MOL
InChI Key CIOKCIBFBZYLCA-YFKPBYRVSA-N
8
Targets
14
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

239.2
MW (Da)
-0.47
ALogP
4
HBA
4
HBD
137.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H14NO6P
MW 239.16
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.97

Activity Summary

EC50 14 meas. best 5.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
 EC50 5.23 5.21 5940.0 2
Metabotropic glutamate receptor 4
CHEMBL2787
 EC50 5.21 5.2 6150.0 2
Metabotropic glutamate receptor 8
CHEMBL3228
 EC50 5.19 5.15 6500.0 2
Metabotropic glutamate receptor 8
CHEMBL2718
 EC50 5.18 5.145 6600.0 2
Metabotropic glutamate receptor 6
CHEMBL3842
 EC50 5.17 4.84 6700.0 2
Metabotropic glutamate receptor 6
CHEMBL4573
 EC50 5.17 4.84 6700.0 2
Metabotropic glutamate receptor 7
CHEMBL3777
 EC50 4.05 4.05 89000.0 1
Metabotropic glutamate receptor 7
CHEMBL3879
 EC50 4.05 4.05 89000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 4 EC50 = 5940.0 nM 5.23 Agonist activity at mGlu4 (unknown origin) expressed in HEK293 cells coexpressin... 29397723
Metabotropic glutamate receptor 4 EC50 = 6150.0 nM 5.21 Agonist activity at rat mGlu4 receptor expressed in HEK293 cells co-transfected ... 20218620
Metabotropic glutamate receptor 4 EC50 = 6400.0 nM 5.19 Agonist activity at rat mGlu4 receptor expressed in HEK293 cells co-transfected ... 20218620
Metabotropic glutamate receptor 4 EC50 = 6400.0 nM 5.19 Agonist activity at mGlu4 (unknown origin) expressed in HEK293 cells coexpressin... 29397723
Metabotropic glutamate receptor 8 EC50 = 6500.0 nM 5.19 Agonist activity at mGlu8 (unknown origin) expressed in HEK293 cells coexpressin... 29397723
Metabotropic glutamate receptor 8 EC50 = 6600.0 nM 5.18 Agonist activity at rat mGlu8 receptor expressed in HEK293 cells co-transfected ... 20218620
Metabotropic glutamate receptor 6 EC50 = 6700.0 nM 5.17 Agonist activity at rat mGlu6 receptor expressed in HEK293 cells co-transfected ... 20218620
Metabotropic glutamate receptor 6 EC50 = 6700.0 nM 5.17 Agonist activity at mGlu6 (unknown origin) expressed in HEK293 cells coexpressin... 29397723
Metabotropic glutamate receptor 8 EC50 = 7800.0 nM 5.11 Agonist activity at rat mGlu8 receptor expressed in HEK293 cells co-transfected ... 20218620
Metabotropic glutamate receptor 8 EC50 = 7800.0 nM 5.11 Agonist activity at mGlu8 (unknown origin) expressed in HEK293 cells coexpressin... 29397723
Metabotropic glutamate receptor 6 EC50 = 31000.0 nM 4.51 Agonist activity at rat mGlu6 receptor expressed in HEK293 cells co-transfected ... 20218620
Metabotropic glutamate receptor 6 EC50 = 31000.0 nM 4.51 Agonist activity at mGlu6 (unknown origin) expressed in HEK293 cells coexpressin... 29397723
Metabotropic glutamate receptor 7 EC50 = 89000.0 nM 4.05 Agonist activity at rat mGlu7 receptor expressed in HEK293 cells co-transfected ... 20218620
Metabotropic glutamate receptor 7 EC50 = 89000.0 nM 4.05 Agonist activity at mGlu7 (unknown origin) expressed in HEK293 cells coexpressin... 29397723

Literature References

PubMed DOI Target Context # Activities
20218620 10.1021/jm901523t Metabotropic glutamate receptor 4 2
20218620 10.1021/jm901523t Metabotropic glutamate receptor 6 2
20218620 10.1021/jm901523t Metabotropic glutamate receptor 8 2
29397723 10.1021/acs.jmedchem.7b01438 Metabotropic glutamate receptor 4 2
29397723 10.1021/acs.jmedchem.7b01438 Metabotropic glutamate receptor 8 2
29397723 10.1021/acs.jmedchem.7b01438 Metabotropic glutamate receptor 6 2
29397723 10.1021/acs.jmedchem.7b01438 Unchecked 2
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
29397723 10.1021/acs.jmedchem.7b01438 Metabotropic glutamate receptor 7 1

Data from ChEMBL 36 via Core Engine