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Compound Detail

CHEMBL34880

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N[C@]1(C(=O)O)C[C@@H]1CP(=O)(O)O

Basic Information

ChEMBL ID CHEMBL34880
Phase Preclinical
Structure Type MOL
InChI Key RACNCOSUCJNQDH-NQXXGFSBSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

195.1
MW (Da)
-1.03
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H10NO5P
MW 195.11
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.08

Activity Summary

EC50 4 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 6.24 5.315 580.0 2
Metabotropic glutamate receptor 8
CHEMBL3228
EC50 5.19 5.19 6510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10888329 10.1016/s0960-894x(00)00247-x Metabotropic glutamate receptor 4 1
17602546 10.1021/jm070262c Metabotropic glutamate receptor 4 1
17602546 10.1021/jm070262c Metabotropic glutamate receptor 6 1
17602546 10.1021/jm070262c Metabotropic glutamate receptor 7 1
17602546 10.1021/jm070262c Metabotropic glutamate receptor 8 1

Data from ChEMBL 36 via Core Engine