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Compound Detail

CHEMBL449666

TRICHLOROETHANOL
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Basic Information

ChEMBL ID CHEMBL449666
Name TRICHLOROETHANOL
Phase Preclinical
Structure Type MOL
InChI Key NIBKDWIGIKUFKL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

149.4
MW (Da)
1.35
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C2H3Cl3O
MW 149.40
Aromatic Rings 0
Heavy Atoms 6
NP-Likeness 0.45

Literature References

PubMed DOI Target Context # Activities
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] A 1
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine