Structure

InChI Key COTYYZPYDJKKIS-UHFFFAOYSA-N
Smile O=C(O)c1nc2ccccc2n(C2C[C@@H]3CCC[C@@H](C2)N3C2C[C@H]3CCC[C@H](C2)C3)c1=O
InChI
InChI=1S/C26H33N3O3/c30-25-24(26(31)32)27-22-9-1-2-10-23(22)29(25)21-14-18-7-4-8-19(15-21)28(18)20-12-16-5-3-6-17(11-16)13-20/h1-2,9-10,16-21H,3-8,11-15H2,(H,31,32)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H33N3O3
Molecular Weight 435.57
AlogP 4.62
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 75.43
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 32.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 2 D010146 ClinicalTrials
Sleep Initiation and Maintenance Disorders 2 D007319 ClinicalTrials
Cystitis, Interstitial 1 D018856 ClinicalTrials
Urinary Bladder, Overactive 1 D053201 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4650344
FDA SRS I1X86U5474
PubChem 66819082
SureChEMBL SCHEMBL852622