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Compound Detail

CHEMBL584345

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CCOC(=O)c1c(N=NC#N)sc(-c2ccccc2)c1C

Basic Information

ChEMBL ID CHEMBL584345
Phase Preclinical
Structure Type MOL
InChI Key GPDXZSAUHCBZLB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
4.47
ALogP
6
HBA
0
HBD
74.8
PSA (Ų)
0.47
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 C15H13N3O2S
MW 299.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 4.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 6
CHEMBL4573
IC50 4.68 4.68 21000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19819046 10.1016/j.ejmech.2009.09.025 Metabotropic glutamate receptor 5 1
19819046 10.1016/j.ejmech.2009.09.025 Metabotropic glutamate receptor 6 1

Data from ChEMBL 36 via Core Engine