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Compound Detail

CHEMBL226834

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COc1ccc(C#Cc2nncc(C)n2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL226834
Phase Preclinical
Structure Type MOL
InChI Key LGVLFFFHDBFCTR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

239.3
MW (Da)
1.90
ALogP
4
HBA
0
HBD
47.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N3O
MW 239.28
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.06

Literature References

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

Data from ChEMBL 36 via Core Engine