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Compound Detail

CHEMBL4107377

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

Basic Information

ChEMBL ID CHEMBL4107377
Phase Preclinical
Structure Type MOL
InChI Key HLBMHNZCZUXUSO-UCWRFOARSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

391.3
MW (Da)
-0.09
ALogP
7
HBA
6
HBD
204.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18NO10P
MW 391.27
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.24

Activity Summary

EC50 3 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
EC50 5.4 5.4 4000.0 1
Metabotropic glutamate receptor 8
CHEMBL2718
EC50 5.13 5.13 7400.0 1
Metabotropic glutamate receptor 7
CHEMBL3879
EC50 4.19 4.19 65000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine