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Compound Detail

CHEMBL103725

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O=C(O)CC[C@H](CP(=O)(O)C[C@@H](CCC(=O)O)C(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL103725
Phase Preclinical
Structure Type MOL
InChI Key SGRJLTOOQLQDRH-HTQZYQBOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.2
MW (Da)
0.39
ALogP
5
HBA
5
HBD
186.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H19O10P
MW 354.25
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 0.51

Activity Summary

IC50 1 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate carboxypeptidase 2
CHEMBL5098
 IC50 7.66 7.66 21.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate carboxypeptidase 2 IC50 = 21.7 nM 7.66 Inhibitory activity against expressed rat Glutamate carboxypeptidase II, using a... 11462970

Literature References

PubMed DOI Target Context # Activities
11462970 10.1021/jm000406m Glutamate carboxypeptidase 2 1

Data from ChEMBL 36 via Core Engine