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Compound Detail

CHEMBL3799261

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Cc1cccc2c1C(=O)N(c1ccc(NC(=O)c3ncccc3N)cc1Cl)C2=O

Basic Information

ChEMBL ID CHEMBL3799261
Phase Preclinical
Structure Type MOL
InChI Key GMUKIZAUXWBOSI-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.8
MW (Da)
3.68
ALogP
5
HBA
2
HBD
105.4
PSA (Ų)
0.65
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 C21H15ClN4O3
MW 406.83
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.45

Activity Summary

EC50 2 meas. best 9.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 9.16 7.66 0.7 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