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Compound Detail

CHEMBL394657

METAXON
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Cc1cc(Cl)ccc1OCC(=O)O

Basic Information

ChEMBL ID CHEMBL394657
Name METAXON
Phase Preclinical
Structure Type MOL
InChI Key WHKUVVPPKQRRBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
6
Publications
0
Known Names

Molecular Properties

200.6
MW (Da)
2.11
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.81
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 C9H9ClO3
MW 200.62
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.26

Pharmacokinetic Data

Parameter Value Units Species
T1/2 11.0 hr Homo sapiens
T1/2 6.0 hr Rattus norvegicus
T1/2 63.0 hr Canis lupus familiaris

Literature References

PubMed DOI Target Context # Activities
22203697 10.1124/dmd.111.043729 Plasma 3
17531480 10.1016/j.bmcl.2007.05.019 Prostaglandin D2 receptor 2 1
17531480 10.1016/j.bmcl.2007.05.019 Prostaglandin D2 receptor 1
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] A 1
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] B 1
- 10.1016/j.tet.2011.05.016 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine