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Compound Detail

CHEMBL552837

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Cl.Cl.N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccc([N+](=O)[O-])cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL552837
Phase Preclinical
Structure Type MOL
InChI Key XSLAXVLISKNDBV-OWVUFADGSA-N
Parent Compound CHEMBL1194541
Active Moiety CHEMBL1194541
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
0.04
ALogP
6
HBA
3
HBD
147.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17Cl2N3O6
MW 382.20
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.44

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11459661 10.1016/s0960-894x(01)00329-8 Metabotropic glutamate receptor 2 2
11459661 10.1016/s0960-894x(01)00329-8 Metabotropic glutamate receptor 3 2
11459661 10.1016/s0960-894x(01)00329-8 Metabotropic glutamate receptor 6 1

Data from ChEMBL 36 via Core Engine