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Compound Detail

CHEMBL4111386

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N[C@H](CCP(=O)(O)Cc1ccc(OCC(=O)O)c(OC(F)(F)F)c1)C(=O)O

Basic Information

ChEMBL ID CHEMBL4111386
Phase Preclinical
Structure Type MOL
InChI Key CARSOSGGIHYXAY-SECBINFHSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.3
MW (Da)
1.62
ALogP
6
HBA
4
HBD
156.4
PSA (Ų)
0.42
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 C14H17F3NO8P
MW 415.26
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.09

Activity Summary

EC50 2 meas. best 5.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
EC50 5.91 5.91 1220.0 1
Metabotropic glutamate receptor 7
CHEMBL3879
EC50 4.79 4.79 16200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine