TOLTERODINE

Search structure
Synonyms:
Status: Approved (1998)
Entry Type: Small molecule
Molecule Category: Parent
ATC: G04BD07
UNII: WHE7A56U7K

Structure
InChI Key OOGJQPCLVADCPB-HXUWFJFHSA-N
Smile 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(%)
Auxiliary transport protein Slow voltage-gated potassium channel accessory protein family
- 79432.82 - - -
Enzyme Transferase
- - - - 5.45
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -16.55--7.49
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 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 6309.57-31622.78 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 6.31 15.85 3.2-3.6 -
Transcription factor
- - - - 50
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 96.1

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pelvic Organ Prolapse 3 D056887 ClinicalTrials
Pain 3 D010146 ClinicalTrials
Urinary Bladder, Overactive 3 D053201 ClinicalTrials
Low Back Pain 3 D017116 ClinicalTrials
Kidney Calculi 2 D007669 ClinicalTrials
Neuralgia 1 D009437 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 124937-51-5
ChEBI 9622
ChEMBL CHEMBL1382
DrugBank DB01036
DrugCentral 2705
EPA CompTox DTXSID3023687
FDA SRS WHE7A56U7K
Human Metabolome Database HMDB15170
Guide to Pharmacology 360
PubChem 443879
SureChEMBL SCHEMBL3064
ZINC ZINC000000968336
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