Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4072409

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
NC(c1cccc([N+](=O)[O-])c1)P(=O)(O)CC[C@H](N)C(=O)O

Basic Information

ChEMBL ID CHEMBL4072409
Phase Preclinical
Structure Type MOL
InChI Key HICWROXXJFGAGC-RGURZIINSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

317.2
MW (Da)
0.62
ALogP
6
HBA
4
HBD
169.8
PSA (Ų)
0.32
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 C11H16N3O6P
MW 317.24
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.15

Activity Summary

EC50 2 meas. best 6.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 6.27 6.27 540.0 1
Metabotropic glutamate receptor 8
CHEMBL3228
EC50 5.66 5.66 2200.0 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 Unchecked 1

Data from ChEMBL 36 via Core Engine