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Compound Detail

CHEMBL215149

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Cc1cccc(C#CCOc2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL215149
Phase Preclinical
Structure Type MOL
InChI Key YSODDRHEYMGLIX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

223.3
MW (Da)
2.82
ALogP
2
HBA
0
HBD
22.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13NO
MW 223.28
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
16839764 10.1016/j.bmcl.2006.06.079 Metabotropic glutamate receptor 5 1

Data from ChEMBL 36 via Core Engine