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Compound Detail

CHEMBL540427

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COc1nc(NC(=O)c2ccccn2)ccc1Cl

Basic Information

ChEMBL ID CHEMBL540427
Phase Preclinical
Structure Type MOL
InChI Key UYSNCZHSYFZFQK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

263.7
MW (Da)
2.39
ALogP
4
HBA
1
HBD
64.1
PSA (Ų)
0.92
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 C12H10ClN3O2
MW 263.68
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.89

Activity Summary

EC50 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 5.19 5.19 6400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19469556 10.1021/jm9005065 Metabotropic glutamate receptor 4 6

Data from ChEMBL 36 via Core Engine