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Compound Detail

CHEMBL232189

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Cc1cc(C#N)cc(-c2ccc3ccc(C)nc3c2)c1

Basic Information

ChEMBL ID CHEMBL232189
Phase Preclinical
Structure Type MOL
InChI Key FSRORMXGJWDWBA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
4.39
ALogP
2
HBA
0
HBD
36.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N2
MW 258.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 5
CHEMBL2564
IC50 8.8 8.8 1.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17590335 10.1016/j.bmcl.2007.06.030 Metabotropic glutamate receptor 5 1

Data from ChEMBL 36 via Core Engine