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Compound Detail

CHEMBL3798239

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Cc1ncc(Oc2ccc(NC(=O)c3ncccc3N)cc2Cl)cn1

Basic Information

ChEMBL ID CHEMBL3798239
Phase Preclinical
Structure Type MOL
InChI Key NPWXHVJMCNCZDA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.8
MW (Da)
3.46
ALogP
6
HBA
2
HBD
103.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14ClN5O2
MW 355.79
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.37

Activity Summary

EC50 2 meas. best 8.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 8.87 7.37 1.4 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