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Compound Detail

CHEMBL3798197

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Nc1cccnc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL3798197
Phase Preclinical
Structure Type MOL
InChI Key WLGIWTZAMCZKNC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.8
MW (Da)
3.73
ALogP
4
HBA
2
HBD
88.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15ClN4O2
MW 378.82
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.29

Activity Summary

EC50 2 meas. best 9.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 9.63 8.13 0.2 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27131990 10.1016/j.bmcl.2016.04.041 Metabotropic glutamate receptor 4 3

Data from ChEMBL 36 via Core Engine