HYDROQUINIDINE

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Synonyms
Status
Molecule Category Free-form
ATC C01BA13
UNII 8P68XPY4HG

Structure

InChI Key LJOQGZACKSYWCH-NBGVHYBESA-N
Smiles CC[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12
InChI
InChI=1S/C20H26N2O2/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/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14?,19+,20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H26N2O2
Molecular Weight 326.44
AlogP 3.4
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(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 77.48-96.11
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 77.48-96.11

Related Entries

Cross References

Resources Reference
ChEBI 5792
ChEMBL CHEMBL1906890
FDA SRS 8P68XPY4HG
KEGG C10696
PubChem 91503
SureChEMBL SCHEMBL13587300
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