Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LD86RKR53M

Structure

InChI Key VMMYRRFPMAGXNP-BTYIYWSLSA-N
Smile Cc1cc(OCC(=O)O)c(C)cc1CCN[C@@H](C)[C@H](O)c1ccc(O)cc1
InChI
InChI=1S/C21H27NO5/c1-13-11-19(27-12-20(24)25)14(2)10-17(13)8-9-22-15(3)21(26)16-4-6-18(23)7-5-16/h4-7,10-11,15,21-23,26H,8-9,12H2,1-3H3,(H,24,25)/t15-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27NO5
Molecular Weight 373.45
AlogP 2.73
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 99.02
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Beta-3 adrenergic receptor agonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Bladder, Overactive 3 D053201 ClinicalTrials
Urinary Bladder, Neurogenic 1 D001750 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2107773
DrugBank DB12080
FDA SRS LD86RKR53M
PubChem 9820882
SureChEMBL SCHEMBL1404071
ZINC ZINC000072266295