RAFABEGRON

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LN3E1Q0SU2

Structure
InChI Key FHEYFIGWYQJVDR-ACJLOTCBSA-N
Smile C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1
InChI
InChI=1S/C21H23ClN2O4/c1-13(23-11-18(25)14-4-2-5-16(22)9-14)8-15-10-24-21-17(15)6-3-7-19(21)28-12-20(26)27/h2-7,9-10,13,18,23-25H,8,11-12H2,1H3,(H,26,27)/t13-,18+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H23ClN2O4
Molecular Weight 402.88
AlogP 3.54
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 94.58
Molecular species ZWITTERION
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Beta-3 adrenergic receptor agonist PubMed
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
0-0 - - - -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL279260
EPA CompTox DTXSID80179162
FDA SRS LN3E1Q0SU2
PubChem 5493324
SureChEMBL SCHEMBL678589
ZINC ZINC000003952725
CONTENTS