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Compound Detail

CHEMBL584413

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O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@H]1C(=O)NCC1CC1

Basic Information

ChEMBL ID CHEMBL584413
Phase Preclinical
Structure Type MOL
InChI Key VPDWLTLORANIAR-CVEARBPZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.3
MW (Da)
4.26
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.81
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 C18H22Cl2N2O2
MW 369.29
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.26

Activity Summary

EC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19640716 10.1016/j.bmcl.2009.07.072 Metabotropic glutamate receptor 4 2

Data from ChEMBL 36 via Core Engine