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Ligand

NameCHEMBL57634
Molecular formulaC25H32ClNO7Si
IUPAC name5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-2-(2-trimethylsilylethoxycarbonyl)-1,3-benzodioxole-2-carboxylic acid
Molecular weight522.066
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogPNone
Synonyms5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid 2-[2-(trimethylsilyl)ethyl] ester
Inchi KeyGOWLTXQHNMGHMA-NLDMFTSSSA-N
Inchi IDInChI=1S/C25H32ClNO7Si/c1-16(27-15-20(28)18-6-5-7-19(26)14-18)12-17-8-9-21-22(13-17)34-25(33-21,23(29)30)24(31)32-10-11-35(2,3)4/h5-9,13-14,16,20,27-28H,10-12,15H2,1-4H3,(H,29,30)/t16-,20+,25?/m1/s1
PubChem CID44300786
ChEMBLCHEMBL57634
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
101618Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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