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Compound Detail

CHEMBL2204441

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COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](C(=O)O)C3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2204441
Phase Preclinical
Structure Type MOL
InChI Key IVBZEDXONVQDIV-LJQANCHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
3.03
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.85
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 C22H21NO4
MW 363.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.95

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