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Compound Detail

CHEMBL512634

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Cc1cccc(NC(=O)c2ccc(-c3cccc(C#N)c3)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL512634
Phase Preclinical
Structure Type MOL
InChI Key VBCHNUOZQFDEIE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
4.18
ALogP
3
HBA
1
HBD
65.8
PSA (Ų)
0.79
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 C20H15N3O
MW 313.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.76

Literature References

PubMed DOI Target Context # Activities
19445453 10.1021/jm900172f Metabotropic glutamate receptor 5 3
19445453 10.1021/jm900172f Metabotropic glutamate receptor 1 1
19445453 10.1021/jm900172f Metabotropic glutamate receptor 6 1

Data from ChEMBL 36 via Core Engine