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Compound Detail

CHEMBL543270

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Cl.NCC(CC(=O)O)c1c(Cl)cccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL543270
Phase Preclinical
Structure Type MOL
InChI Key BDLLFLRDXAZYLG-UHFFFAOYSA-N
Parent Compound CHEMBL1192088
Active Moiety CHEMBL1192088
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

248.1
MW (Da)
2.51
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.86
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 C10H12Cl3NO2
MW 284.57
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.08

Literature References

PubMed DOI Target Context # Activities
1849996 10.1021/jm00108a011 GABA-A receptor; anion channel 1
1849996 10.1021/jm00108a011 GABA B receptor 1

Data from ChEMBL 36 via Core Engine