CARISOPRODOL

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC M03BA02
UNII 21925K482H
EPA CompTox DTXSID8024733

Structure

InChI Key OFZCIYFFPZCNJE-UHFFFAOYSA-N
Smiles CCCC(C)(COC(N)=O)COC(=O)NC(C)C
InChI
InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24N2O4
Molecular Weight 260.33
AlogP 2.02
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 90.65
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 18.0

Metabolites Network

visNetwork

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 14.58
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 103.82-105.98
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 19.8
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 103.82-105.98
Homo sapiens
- - - - 14.58-19.8

Related Entries

Cross References

Resources Reference
ChEBI 3419
ChEMBL CHEMBL1233
DrugBank DB00395
DrugCentral 509
FDA SRS 21925K482H
Human Metabolome Database HMDB0014539
Guide to Pharmacology 7610
KEGG C07927
PharmGKB PA448809
PubChem 2576
SureChEMBL SCHEMBL33286
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