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Compound Detail

CHEMBL235836

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Cc1cc(C)cc(-c2cnc3cccnc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL235836
Phase Preclinical
Structure Type MOL
InChI Key NXEJUZMQMJIULC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
3.91
ALogP
2
HBA
0
HBD
25.8
PSA (Ų)
0.64
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 C16H14N2
MW 234.30
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
17936624 10.1016/j.bmcl.2007.09.083 Metabotropic glutamate receptor 5 1

Data from ChEMBL 36 via Core Engine