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Compound Detail

CHEMBL10701

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CCOC(=O)c1cc2c3cc(OCc4ccccc4)ccc3n(C)c2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL10701
Phase Preclinical
Structure Type MOL
InChI Key BRFGUEUMJVMLHX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
4.48
ALogP
5
HBA
0
HBD
53.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N2O3
MW 360.41
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
9651158 10.1021/jm970460b GABA-A receptor; anion channel 1
1968513 10.1021/jm00165a028 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine