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Compound Detail

CHEMBL424681

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COC(=O)c1cccc(NC(=O)NC2=NC(=O)CN2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL424681
Phase Preclinical
Structure Type MOL
InChI Key KPDLZRNKTBXGCJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
0.42
ALogP
5
HBA
2
HBD
100.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N4O4
MW 290.28
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
16380255 10.1016/j.bmcl.2005.11.092 Metabotropic glutamate receptor 5 2

Data from ChEMBL 36 via Core Engine