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Compound Detail

CHEMBL4109748

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N[C@H](CCP(=O)(O)C(O)c1ccc(CCC(=O)O)cc1)C(=O)O

Basic Information

ChEMBL ID CHEMBL4109748
Phase Preclinical
Structure Type MOL
InChI Key WQHZBTAYFHHLRA-YNODCEANSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

345.3
MW (Da)
0.77
ALogP
5
HBA
5
HBD
158.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20NO7P
MW 345.29
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.64

Activity Summary

EC50 3 meas. best 6.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
EC50 6.01 6.01 980.0 1
Metabotropic glutamate receptor 7
CHEMBL3879
EC50 4.43 4.43 37000.0 1
Metabotropic glutamate receptor 8
CHEMBL2718
EC50 4.31 4.31 48700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine