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Compound Detail

CHEMBL178328

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CN(C)c1nc(N)c(C(=O)Nc2ccccn2)nc1Cl

Basic Information

ChEMBL ID CHEMBL178328
Phase Preclinical
Structure Type MOL
InChI Key QUODWOZQRXAWHV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.7
MW (Da)
1.43
ALogP
6
HBA
2
HBD
97.0
PSA (Ų)
0.89
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 C12H13ClN6O
MW 292.73
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.58

Activity Summary

IC50 1 meas. best 6.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 5
CHEMBL3227
IC50 6.87 6.87 134.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15686941 10.1016/j.bmcl.2004.11.078 Metabotropic glutamate receptor 5 1

Data from ChEMBL 36 via Core Engine