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Compound Detail

CHEMBL4106501

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CCOc1cc(C(O)P(=O)(O)CC[C@@H](N)C(=O)O)ccc1OCC(=O)O

Basic Information

ChEMBL ID CHEMBL4106501
Phase Preclinical
Structure Type MOL
InChI Key DUVRKQMGYBQIIA-INHVJJQHSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

391.3
MW (Da)
0.61
ALogP
7
HBA
5
HBD
176.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22NO9P
MW 391.31
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.19

Activity Summary

EC50 3 meas. best 5.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
EC50 5.78 5.78 1670.0 1
Metabotropic glutamate receptor 8
CHEMBL2718
EC50 4.6 4.6 25000.0 1
Metabotropic glutamate receptor 7
CHEMBL3879
EC50 4.22 4.22 60200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine