DISOPYRAMIDE

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Synonyms
Status
Molecule Category Free-form
ATC C01BA03
UNII GFO928U8MQ
EPA CompTox DTXSID1045536

Structure

InChI Key UVTNFZQICZKOEM-UHFFFAOYSA-N
Smiles CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C
InChI
InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H29N3O
Molecular Weight 339.48
AlogP 3.36
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 59.22
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 17
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - - -1-7
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 8.6-47.5
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 68.8
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - 363.08-891.25 - 14-81
Homo sapiens
- - - - 8.6-68.8
Rattus norvegicus
- - - - 17

Cross References

Resources Reference
ChEBI 4657
ChEMBL CHEMBL517
DrugBank DB00280
DrugCentral 926
FDA SRS GFO928U8MQ
Human Metabolome Database HMDB0014425
Guide to Pharmacology 7167
KEGG C06965
PharmGKB PA449373
PubChem 3114
SureChEMBL SCHEMBL16153
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