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Compound Detail

CHEMBL412630

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COC1(OC)C(N2CCOCC2)=NC(=O)N1c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL412630
Phase Preclinical
Structure Type MOL
InChI Key XWGKBPUCWRCESV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

339.8
MW (Da)
1.96
ALogP
5
HBA
0
HBD
63.6
PSA (Ų)
0.79
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 C15H18ClN3O4
MW 339.78
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
16539371 10.1021/jm0509400 GABA-A receptor; anion channel 2
16539371 10.1021/jm0509400 Mus musculus 2
16539371 10.1021/jm0509400 No relevant target 1

Data from ChEMBL 36 via Core Engine