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Compound Detail

CHEMBL243925

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N[C@@H](CCP(O)(O)=S)C(=O)O

Basic Information

ChEMBL ID CHEMBL243925
Phase Preclinical
Structure Type MOL
InChI Key SBYYVZHQFAJJDQ-VKHMYHEASA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

199.2
MW (Da)
-0.92
ALogP
3
HBA
4
HBD
103.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H10NO4PS
MW 199.17
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.86

Activity Summary

EC50 4 meas. best 7.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
EC50 7.41 7.41 39.0 1
Metabotropic glutamate receptor 8
CHEMBL2718
EC50 7.27 7.27 54.0 1
Metabotropic glutamate receptor 6
CHEMBL3842
EC50 6.14 6.14 730.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17722902 10.1021/jm070400y Metabotropic glutamate receptor 4 1
17722902 10.1021/jm070400y Metabotropic glutamate receptor 6 1
17722902 10.1021/jm070400y Metabotropic glutamate receptor 7 1
17722902 10.1021/jm070400y Metabotropic glutamate receptor 8 1
17722902 10.1021/jm070400y Metabotropic glutamate receptor 1 1
17722902 10.1021/jm070400y Metabotropic glutamate receptor 5 1
17722902 10.1021/jm070400y Metabotropic glutamate receptor 2 1
17722902 10.1021/jm070400y Metabotropic glutamate receptor 3 1

Data from ChEMBL 36 via Core Engine