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Compound Detail

CHEMBL215097

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COc1cccc(OCC#Cc2cnccn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL215097
Phase Preclinical
Structure Type MOL
InChI Key VQRUUEPBUJFNAP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
1.92
ALogP
4
HBA
0
HBD
44.2
PSA (Ų)
0.77
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 C14H12N2O2
MW 240.26
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.06

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