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Compound Detail

CHEMBL3427499

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NC1(C(=O)O)CC1(F)CP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3427499
Phase Preclinical
Structure Type MOL
InChI Key VHMPIZVLCHCGBT-UHFFFAOYSA-N
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

213.1
MW (Da)
-0.94
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.45
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 C5H9FNO5P
MW 213.10
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 0.61

Activity Summary

EC50 8 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
 EC50 7.0 6.476 100.0 5
Metabotropic glutamate receptor 8
CHEMBL2718
 EC50 5.9 5.9 1250.0 1
Metabotropic glutamate receptor 6
CHEMBL3842
 EC50 5.22 5.22 6010.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 4 EC50 = 100.0 nM 7.0 Agonist activity at rat mGluR4 expressed in HEK293 cells assessed as induction o... 25958247
Metabotropic glutamate receptor 4 EC50 = 100.0 nM 7.0 Agonist activity at rat mGluR4 expressed in HEK293 cells assessed as induction o... 25958247
Metabotropic glutamate receptor 4 EC50 = 120.0 nM 6.92 Agonist activity at rat mGluR4 expressed in HEK293 cells assessed as induction o... 25958247
Metabotropic glutamate receptor 4 EC50 = 300.0 nM 6.52 Agonist activity at rat mGluR4 expressed in HEK293 cells assessed as induction o... 25958247
Metabotropic glutamate receptor 8 EC50 = 1250.0 nM 5.9 Agonist activity at rat mGluR8 expressed in HEK293 cells assessed as induction o... 25958247
Metabotropic glutamate receptor 6 EC50 = 6010.0 nM 5.22 Agonist activity at rat mGluR6 expressed in HEK293 cells assessed as induction o... 25958247
Metabotropic glutamate receptor 4 EC50 = 11390.0 nM 4.94 Agonist activity at rat mGluR4 expressed in HEK293 cells assessed as induction o... 25958247

Literature References

PubMed DOI Target Context # Activities
25958247 10.1016/j.bmcl.2015.04.043 Metabotropic glutamate receptor 4 6
25958247 10.1016/j.bmcl.2015.04.043 Metabotropic glutamate receptor 1 1
25958247 10.1016/j.bmcl.2015.04.043 Metabotropic glutamate receptor 2 1
25958247 10.1016/j.bmcl.2015.04.043 Metabotropic glutamate receptor 5 1
25958247 10.1016/j.bmcl.2015.04.043 Metabotropic glutamate receptor 6 1
25958247 10.1016/j.bmcl.2015.04.043 Metabotropic glutamate receptor 7 1
25958247 10.1016/j.bmcl.2015.04.043 Metabotropic glutamate receptor 8 1

Data from ChEMBL 36 via Core Engine