TOLTERODINE

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Synonyms
Status
Molecule Category Free-form
ATC G04BD07
UNII WHE7A56U7K
EPA CompTox DTXSID3023687

Structure

InChI Key OOGJQPCLVADCPB-HXUWFJFHSA-N
Smiles Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1
InChI
InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H31NO
Molecular Weight 325.5
AlogP 5.34
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 12.59-158.49 - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 143 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 6.31 15.85-19.95 1.4-7.07 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- 143 15.85-19.95 - -
Cricetulus griseus
- 125.89-158.49 - - -
Homo sapiens
- - - 1.4-4 -
Rattus norvegicus
- 6.31 - 1.4-7.07 -

Cross References

Resources Reference
ChEBI 9622
ChEMBL CHEMBL1382
DrugBank DB01036
DrugCentral 2705
FDA SRS WHE7A56U7K
Human Metabolome Database HMDB0015170
Guide to Pharmacology 360
PubChem 443879
SureChEMBL SCHEMBL3064
ZINC ZINC000000968336
CONTENTS