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Compound Detail

CHEMBL4094636

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CS(=O)(=O)c1ccc(C(O)P(=O)(O)CC[C@H](N)C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL4094636
Phase Preclinical
Structure Type MOL
InChI Key OEKGPRKVGMSCTI-NUHJPDEHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

351.3
MW (Da)
0.15
ALogP
6
HBA
4
HBD
155.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18NO7PS
MW 351.32
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.01

Activity Summary

EC50 1 meas. best 4.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 4.23 4.23 59000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
29397723 10.1021/acs.jmedchem.7b01438 Metabotropic glutamate receptor 4 2
29397723 10.1021/acs.jmedchem.7b01438 Metabotropic glutamate receptor 6 1
29397723 10.1021/acs.jmedchem.7b01438 Metabotropic glutamate receptor 7 1
29397723 10.1021/acs.jmedchem.7b01438 Metabotropic glutamate receptor 8 1

Data from ChEMBL 36 via Core Engine