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Compound Detail

CHEMBL4095462

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N[C@@H](CCP(=O)(O)C(O)c1ccc(C(=O)O)cc1)C(=O)O

Basic Information

ChEMBL ID CHEMBL4095462
Phase Preclinical
Structure Type MOL
InChI Key ADCBPOFFPQYZOO-QHGLUPRGSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

317.2
MW (Da)
0.45
ALogP
5
HBA
5
HBD
158.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16NO7P
MW 317.23
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.53

Activity Summary

EC50 4 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 5.1 5.1 8000.0 1
Metabotropic glutamate receptor 6
CHEMBL4573
EC50 4.51 4.51 31000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine