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Compound Detail

CHEMBL4107228

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N[C@H](CCP(=O)(O)C(O)c1ccc(OCC(=O)O)c([N+](=O)[O-])c1)C(=O)O

Basic Information

ChEMBL ID CHEMBL4107228
Phase Preclinical
Structure Type MOL
InChI Key UFAMDVHATQKVBA-UOGPZTOASA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

392.3
MW (Da)
0.12
ALogP
8
HBA
5
HBD
210.5
PSA (Ų)
0.20
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17N2O10P
MW 392.26
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.07

Activity Summary

EC50 3 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
EC50 6.58 6.58 260.0 1
Metabotropic glutamate receptor 8
CHEMBL2718
EC50 5.8 5.8 1590.0 1
Metabotropic glutamate receptor 7
CHEMBL3879
EC50 4.95 4.95 11200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine