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Compound Detail

CHEMBL1830694

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Cc1sc(Nc2ccccn2)nc1-c1cn[nH]c1

Basic Information

ChEMBL ID CHEMBL1830694
Phase Preclinical
Structure Type MOL
InChI Key GNTYTRMYRRTNNR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

257.3
MW (Da)
2.98
ALogP
5
HBA
2
HBD
66.5
PSA (Ų)
0.76
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 C12H11N5S
MW 257.32
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -2.49

Activity Summary

EC50 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21688779 10.1021/jm200290z Metabotropic glutamate receptor 4 2

Data from ChEMBL 36 via Core Engine