SOLABEGRON

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 55P6YH9O6N

Structure
InChI Key LLDXOPKUNJTIRF-QFIPXVFZSA-N
Smile O=C(O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1
InChI
InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H23ClN2O3
Molecular Weight 410.9
AlogP 4.44
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 81.59
Molecular species ZWITTERION
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Beta-3 adrenergic receptor agonist PubMed PubMed
Primary Target
β3-adrenoceptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
1259 - - 1585 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Bladder, Overactive 2 D053201 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 252920-94-8
ChEBI 141346
ChEMBL CHEMBL208427
DrugBank DB06190
EPA CompTox DTXSID50179932
FDA SRS 55P6YH9O6N
Guide to Pharmacology 9512
PubChem 9887812
SureChEMBL SCHEMBL2596555
ZINC ZINC000001547346
CONTENTS