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Compound Detail

CHEMBL214538

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COc1cccc(OCC#Cc2ncccc2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL214538
Phase Preclinical
Structure Type MOL
InChI Key YHDKWCMFTUZPAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
2.83
ALogP
3
HBA
0
HBD
31.4
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 C16H15NO2
MW 253.30
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.95

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