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Compound Detail

CHEMBL4113484

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N[C@H](CCP(=O)(O)Cc1ccc(OCC(=O)O)c(C(F)(F)F)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4113484
Phase Preclinical
Structure Type MOL
InChI Key DLGOTKZKHHEVES-SNVBAGLBSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.3
MW (Da)
1.74
ALogP
5
HBA
4
HBD
147.2
PSA (Ų)
0.46
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 C14H17F3NO7P
MW 399.26
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.18

Activity Summary

EC50 2 meas. best 4.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
 EC50 4.2 4.2 62500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 4 EC50 = 62500.0 nM 4.2 Pharmacological Assay: Metabotropic glutamate receptors were transiently transfe... -

Data from ChEMBL 36 via Core Engine