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Compound Detail

CHEMBL3797923

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Nc1cccnc1C(=O)Nc1ccc(N2CC(Cc3ccccc3)CC2=O)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL3797923
Phase Preclinical
Structure Type MOL
InChI Key GMARWYTUKIGILU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.9
MW (Da)
4.17
ALogP
4
HBA
2
HBD
88.3
PSA (Ų)
0.65
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 C23H21ClN4O2
MW 420.90
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.22

Activity Summary

EC50 2 meas. best 9.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 9.12 7.62 0.8 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