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Compound Detail

CHEMBL536701

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Cl.NCC(CC(=O)O)c1ccc(OCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL536701
Phase Preclinical
Structure Type MOL
InChI Key PSJQPDQFNKWIFU-UHFFFAOYSA-N
Parent Compound CHEMBL1188525
Active Moiety CHEMBL1188525
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
2.78
ALogP
3
HBA
2
HBD
72.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20ClNO3
MW 321.80
Aromatic Rings 2
Heavy Atoms 21

Literature References

PubMed DOI Target Context # Activities
3031294 10.1021/jm00387a031 GABA-A receptor; anion channel 1
3031294 10.1021/jm00387a031 GABA B receptor 1

Data from ChEMBL 36 via Core Engine