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Compound Detail

CHEMBL538487

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Cl.Cl.N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2cccc(O)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL538487
Phase Preclinical
Structure Type MOL
InChI Key WTCHTXKLPHZBLI-OWVUFADGSA-N
Parent Compound CHEMBL1189301
Active Moiety CHEMBL1189301
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
-0.17
ALogP
5
HBA
4
HBD
124.1
PSA (Ų)
0.60
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 C13H18Cl2N2O5
MW 353.20
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.19

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