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Compound Detail

CHEMBL1830713

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Cc1cc(Nc2nc3c(s2)CCCc2n[nH]cc2-3)n[nH]1

Basic Information

ChEMBL ID CHEMBL1830713
Phase Preclinical
Structure Type MOL
InChI Key GJMAJJZUVKDXAJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

286.4
MW (Da)
2.80
ALogP
5
HBA
3
HBD
82.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N6S
MW 286.36
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.16

Activity Summary

EC50 1 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 5.62 5.62 2400.0 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
21688779 10.1021/jm200290z No relevant target 1
21688779 10.1021/jm200290z ADMET 1

Data from ChEMBL 36 via Core Engine