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Compound Detail

CHEMBL1319383

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

Basic Information

ChEMBL ID CHEMBL1319383
Phase Preclinical
Structure Type MOL
InChI Key DDOQBQRIEWHWBT-GSVOUGTGSA-N
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

183.1
MW (Da)
-1.03
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.41
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 C4H10NO5P
MW 183.10
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 1.12

Activity Summary

EC50 3 meas. best 6.89
IC50 2 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
EC50 6.89 6.89 130.0 1
Metabotropic glutamate receptor 8
CHEMBL2718
EC50 6.54 6.54 290.0 1
Metabotropic glutamate receptor 6
CHEMBL3842
EC50 5.99 5.99 1030.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1469691 10.1021/jm00102a014 Rattus norvegicus 3

Data from ChEMBL 36 via Core Engine