PROCAINAMIDE

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Synonyms
Status
Molecule Category Free-form
ATC C01BA02
UNII L39WTC366D
EPA CompTox DTXSID7023512

Structure

InChI Key REQCZEXYDRLIBE-UHFFFAOYSA-N
Smiles CCN(CC)CCNC(=O)c1ccc(N)cc1
InChI
InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H21N3O
Molecular Weight 235.33
AlogP 1.34
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 58.36
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 500 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 7.8-22.5
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 3.4-21.6
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 26.5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 500 - - -
Cavia porcellus
14-14 - - - 0-22.5
Homo sapiens
- - - - 3.4-26.5

Cross References

Resources Reference
ChEBI 8428
ChEMBL CHEMBL640
DrugBank DB01035
DrugCentral 2270
FDA SRS L39WTC366D
Human Metabolome Database HMDB0015169
Guide to Pharmacology 4811
KEGG C07401
PharmGKB PA451108
PubChem 4913
SureChEMBL SCHEMBL15914
ZINC ZINC000001530756
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