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Compound Detail

CHEMBL277475

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NC(C(=O)O)c1ccc(P(=O)(O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL277475
Phase Preclinical
Structure Type MOL
InChI Key JRQRKFDFHAPMGQ-UHFFFAOYSA-N
7
Targets
13
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

231.1
MW (Da)
-0.43
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.52
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 C8H10NO5P
MW 231.14
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.28

Activity Summary

EC50 9 meas. best 6.68
Ki 4 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 8
CHEMBL2718
 EC50 6.68 6.68 210.0 1
Metabotropic glutamate receptor 8
CHEMBL3228
 Ki 6.68 6.68 210.0 1
Metabotropic glutamate receptor 4
CHEMBL2736
 EC50 5.5 5.37 3200.0 3
Metabotropic glutamate receptor 6
CHEMBL3842
 EC50 5.33 5.33 4700.0 1
Metabotropic glutamate receptor 6
CHEMBL4573
 Ki 5.33 5.33 4700.0 1
Metabotropic glutamate receptor 4
CHEMBL2736
 Ki 5.28 5.28 5200.0 1
Metabotropic glutamate receptor 4
CHEMBL2787
 EC50 5.28 5.28 5200.0 1
Metabotropic glutamate receptor 7
CHEMBL3777
 EC50 4.32 4.32 48000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 8 EC50 = 210.0 nM 6.68 Metabotropic glutamate receptor 8 agonist activity against forskolin stimulated ... 14711315
Metabotropic glutamate receptor 8 Ki = 210.0 nM 6.68 Agonist potency against cloned Metabotropic glutamate receptor 8 (mGluR-8). 10893301
Metabotropic glutamate receptor 4 EC50 = 3200.0 nM 5.5 Compound was evaluated for the inhibition of forskolin stimulated cAMP accumulat... 10866390
Metabotropic glutamate receptor 4 EC50 = 4700.0 nM 5.33 Agonistic activity at Metabotropic glutamate receptor 4 expressed in mammalian c... 10888329
Metabotropic glutamate receptor 6 EC50 = 4700.0 nM 5.33 Metabotropic glutamate receptor 6 agonist activity to influence forskolin stimul... 14711315
Metabotropic glutamate receptor 6 Ki = 4700.0 nM 5.33 Agonist potency against cloned Metabotropic glutamate receptor 6 (mGluR-6). 10893301
Metabotropic glutamate receptor 4 EC50 = 5200.0 nM 5.28 Compound was evaluated for the inhibition of forskolin stimulated cAMP accumulat... 10866390
Metabotropic glutamate receptor 4 EC50 = 5200.0 nM 5.28 Metabotropic glutamate receptor 4 agonist activity to influence forskolin stimul... 14711315
Metabotropic glutamate receptor 4 Ki = 5200.0 nM 5.28 Agonist potency against cloned human Metabotropic glutamate receptor 4 (mGluR-4) 10893301
Metabotropic glutamate receptor 7 EC50 = 48000.0 nM 4.32 Compound was evaluated for the inhibition of forskolin stimulated cAMP accumulat... 10866390

Literature References

PubMed DOI Target Context # Activities
10866390 10.1016/s0960-894x(00)00197-9 Metabotropic glutamate receptor 4 3
10866390 10.1016/s0960-894x(00)00197-9 Metabotropic glutamate receptor 7 3
10866390 10.1016/s0960-894x(00)00197-9 Metabotropic glutamate receptor 3 2
14711315 10.1021/jm030967o Metabotropic glutamate receptor 8 1
10888329 10.1016/s0960-894x(00)00247-x Metabotropic glutamate receptor 4 1
2544728 10.1021/jm00127a030 Glutamate NMDA receptor 1
10866390 10.1016/s0960-894x(00)00197-9 Metabotropic glutamate receptor 6 1
10866390 10.1016/s0960-894x(00)00197-9 Glutamate NMDA receptor; GRIN1/GRIN2B 1
10866390 10.1016/s0960-894x(00)00197-9 Glutamate NMDA receptor; GRIN1/GRIN2A 1
10866390 10.1016/s0960-894x(00)00197-9 Metabotropic glutamate receptor 5 1
10866390 10.1016/s0960-894x(00)00197-9 Metabotropic glutamate receptor 2 1
10866390 10.1016/s0960-894x(00)00197-9 Metabotropic glutamate receptor 1 1
10866390 10.1016/s0960-894x(00)00197-9 Glutamate [NMDA] receptor 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 8 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 7 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 6 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 5 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 4 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 3 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 2 1

Data from ChEMBL 36 via Core Engine