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Compound Detail

CHEMBL390494

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Cc1cnnc(C#Cc2ccc3c(c2)OCO3)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL390494
Phase Preclinical
Structure Type MOL
InChI Key ABIFKGGJIMDKEJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

239.2
MW (Da)
1.31
ALogP
5
HBA
0
HBD
57.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9N3O2
MW 239.23
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
17569516 10.1021/jm070078r Metabotropic glutamate receptor 5 1

Data from ChEMBL 36 via Core Engine