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Compound Detail

CHEMBL3797463

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Nc1cccnc1C(=O)Nc1ccc(N2CCc3ccccc3C2=O)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL3797463
Phase Preclinical
Structure Type MOL
InChI Key ZWSPYAIDAOBFID-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.9
MW (Da)
3.77
ALogP
4
HBA
2
HBD
88.3
PSA (Ų)
0.71
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 C21H17ClN4O2
MW 392.85
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.31

Activity Summary

EC50 2 meas. best 9.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 9.04 7.54 0.9 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