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Compound Detail

CHEMBL493777

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Cc1cccc(NC(=O)c2ccc(OC(=O)c3ccccc3)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL493777
Phase Preclinical
Structure Type MOL
InChI Key YIXMNFXBDHAPIU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.86
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N2O3
MW 332.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
19445453 10.1021/jm900172f Metabotropic glutamate receptor 5 3
19445453 10.1021/jm900172f Metabotropic glutamate receptor 1 1
19445453 10.1021/jm900172f Metabotropic glutamate receptor 6 1

Data from ChEMBL 36 via Core Engine