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Compound Detail

CHEMBL559960

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COc1cc(NC(=O)c2ccccn2)ncn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL559960
Phase Preclinical
Structure Type MOL
InChI Key ASKVSPFHGNOKGP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

230.2
MW (Da)
1.13
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H10N4O2
MW 230.23
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -2.03

Literature References

PubMed DOI Target Context # Activities
19469556 10.1021/jm9005065 Metabotropic glutamate receptor 4 4

Data from ChEMBL 36 via Core Engine