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Compound Detail

CHEMBL4113972

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N[C@H](CCP(=O)(O)C(O)c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)O

Basic Information

ChEMBL ID CHEMBL4113972
Phase Preclinical
Structure Type MOL
InChI Key ACWNTECWAQAJID-CGCSKFHYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.1
MW (Da)
1.52
ALogP
6
HBA
5
HBD
167.4
PSA (Ų)
0.38
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 C13H16Cl2NO8P
MW 416.15
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.13

Activity Summary

EC50 3 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
EC50 6.42 6.42 380.0 1
Metabotropic glutamate receptor 7
CHEMBL3879
EC50 4.64 4.64 22900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine