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Compound Detail

CHEMBL544218

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Cl.NCC1(CC(=O)O)CCc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL544218
Phase Preclinical
Structure Type MOL
InChI Key QHNVOAGFOFNXJC-UHFFFAOYSA-N
Parent Compound CHEMBL1192900
Active Moiety CHEMBL1192900
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

205.3
MW (Da)
1.30
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.78
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 C12H16ClNO2
MW 241.72
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.74

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