METAXALONE

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Trade Names:
Synonyms:
Status: Approved (1962)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 1NMA9J598Y

Structure
InChI Key IMWZZHHPURKASS-UHFFFAOYSA-N
Smile Cc1cc(C)cc(OCC2CNC(=O)O2)c1
InChI
InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H15NO3
Molecular Weight 221.26
AlogP 1.79
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 47.56
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 4
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 88

Indications

Mesh Heading Maximum Phase Reference
Back Pain; Low Back Pain Phase 4 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
17.57
Nervous system disorders
13.08
Immune system disorders
11.43
Musculoskeletal and connective tissue disorders
9.34
Injury, poisoning and procedural complications
9.01
Gastrointestinal disorders
7.29
Psychiatric disorders
6.62
Respiratory, thoracic and mediastinal disorders
4.27
Skin and subcutaneous tissue disorders
4.15
Vascular disorders
4.14
Cardiac disorders
3.11
Investigations
2.27

Cross References

Resources Reference
CAS NUMBER 1665-48-1
ChEBI 6797
ChEMBL CHEMBL1079604
DrugBank DB00660
DrugCentral 1722
EPA CompTox DTXSID3023269
FDA SRS 1NMA9J598Y
Human Metabolome Database HMDB0014798
Guide to Pharmacology 7609
KEGG C07934
PharmGKB PA164747189
PubChem 15459
SureChEMBL SCHEMBL34908
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