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Compound Detail

CHEMBL2204444

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CCN1CCC[C@H]1CC(=O)c1ccc(C#Cc2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2204444
Phase Preclinical
Structure Type MOL
InChI Key IADYAKBUQIPXKK-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.5
MW (Da)
4.15
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25NO2
MW 347.46
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
22607673 10.1016/j.bmcl.2012.04.112 Metabotropic glutamate receptor 3 2

Data from ChEMBL 36 via Core Engine