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Compound Detail

CHEMBL204289

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O=C(NC1=NC(=O)C2CCCN12)Nc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL204289
Phase Preclinical
Structure Type MOL
InChI Key NNQKAZSLDGWVGR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.7
MW (Da)
1.82
ALogP
3
HBA
2
HBD
73.8
PSA (Ų)
0.83
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 C13H13ClN4O2
MW 292.73
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.17

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