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Compound Detail

CHEMBL553809

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Cl.NCC1(CC(=O)O)CCc2cc(Cl)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL553809
Phase Preclinical
Structure Type MOL
InChI Key FSFBRAQUYIXBCI-UHFFFAOYSA-N
Parent Compound CHEMBL1195073
Active Moiety CHEMBL1195073
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

239.7
MW (Da)
1.96
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.85
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 C12H15Cl2NO2
MW 276.16
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.52

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