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Compound Detail

CHEMBL4082270

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N[C@@H](CCP(=O)(O)C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4082270
Phase Preclinical
Structure Type MOL
InChI Key BWTDMGDNYYGBNJ-VPHXOMNUSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

403.3
MW (Da)
0.49
ALogP
8
HBA
4
HBD
176.5
PSA (Ų)
0.27
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22N3O8P
MW 403.33
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.48

Activity Summary

EC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine