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Compound Detail

CHEMBL4106637

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COc1cc(C(O)P(=O)(O)CC[C@@H](N)C(=O)O)ccc1OCC(=O)O

Basic Information

ChEMBL ID CHEMBL4106637
Phase Preclinical
Structure Type MOL
InChI Key LNLCIHWIBXKXQU-UCWRFOARSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.3
MW (Da)
0.22
ALogP
7
HBA
5
HBD
176.6
PSA (Ų)
0.35
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 C14H20NO9P
MW 377.29
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.39

Activity Summary

EC50 4 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
EC50 7.0 7.0 100.0 1
Metabotropic glutamate receptor 6
CHEMBL3842
EC50 5.33 5.33 4700.0 1
Metabotropic glutamate receptor 7
CHEMBL3879
EC50 4.94 4.94 11500.0 1
Metabotropic glutamate receptor 8
CHEMBL2718
EC50 4.74 4.74 18400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine