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Compound Detail

CHEMBL4067923

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N[C@@H](CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])o1)C(=O)O

Basic Information

ChEMBL ID CHEMBL4067923
Phase Preclinical
Structure Type MOL
InChI Key NZIOSFAHAYLFRF-GXRJOMEUSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

308.2
MW (Da)
0.25
ALogP
7
HBA
4
HBD
177.1
PSA (Ų)
0.31
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 C9H13N2O8P
MW 308.18
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.02

Activity Summary

EC50 4 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 6.82 6.82 150.0 1
Metabotropic glutamate receptor 8
CHEMBL3228
EC50 6.52 6.52 300.0 1
Metabotropic glutamate receptor 6
CHEMBL4573
EC50 5.21 5.21 6100.0 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