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Compound Detail

CHEMBL227156

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Cc1cnnc(C#Cc2ccc(F)cc2F)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227156
Phase Preclinical
Structure Type MOL
InChI Key CESIZSSBDUHHQR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

231.2
MW (Da)
1.86
ALogP
3
HBA
0
HBD
38.7
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 C12H7F2N3
MW 231.21
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.89

Literature References

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

Data from ChEMBL 36 via Core Engine