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Compound Detail

CHEMBL213985

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COc1cccc(OCC#Cc2cccc(OC)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL213985
Phase Preclinical
Structure Type MOL
InChI Key MMDNGPXFTMGTMH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
2.53
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15NO3
MW 269.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.01

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