QUINIDINE

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Synonyms
Status
Molecule Category Free-form
ATC C01BA01
UNII ITX08688JL
EPA CompTox DTXSID4023549

Structure

InChI Key LOUPRKONTZGTKE-LHHVKLHASA-N
Smiles C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12
InChI
InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24N2O2
Molecular Weight 324.42
AlogP 3.17
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 45.59
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- - - - 23
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- - - - 9
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 2-410 - 9.8-80 21.2-97.9
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 36
Ion channel Voltage-gated ion channel Potassium channels Two-pore domain potassium channel
- - - - 37-42.2
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 300-323.59 - - 50.2-100
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 68-74.1
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -10-43.3
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 62.9-89.9
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 28
Transporter Electrochemical transporter
- - - - -10-43.3
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- - - - 21.1-36
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 30-74.1
Homo sapiens
- 2-410 - 9.8-80 -10-100
Plasmodium falciparum
- 4-160 - - -
Plasmodium falciparum 3D7
- 21-194.4 - - -
Plasmodium falciparum HB3
- 18 - - -
Plasmodium falciparum K1
- 51-51 - - -
Rattus norvegicus
- - - - 37-68
Staphylococcus aureus
- - - - 31.5

Related Entries

Cross References

Resources Reference
ChEBI 28593
ChEMBL CHEMBL1294
DrugBank DB00908
DrugCentral 2346
FDA SRS ITX08688JL
Human Metabolome Database HMDB0015044
Guide to Pharmacology 2342
PDB QDN
PharmGKB PA451209
PubChem 441074
SureChEMBL SCHEMBL17537608
ZINC ZINC000003831405
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