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Ligand

NameCHEMBL57287
Molecular formulaC30H36ClNO11
IUPAC namebis(2-methylpropanoyloxymethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight622.064
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP5.4
Synonyms5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(2-methylpropanoyloxymethyl) ester
Inchi KeyAFCDGVLMKXJDBY-XXBNENTESA-N
Inchi IDInChI=1S/C30H36ClNO11/c1-17(2)26(34)38-15-40-28(36)30(29(37)41-16-39-27(35)18(3)4)42-24-10-9-20(12-25(24)43-30)11-19(5)32-14-23(33)21-7-6-8-22(31)13-21/h6-10,12-13,17-19,23,32-33H,11,14-16H2,1-5H3/t19-,23+/m1/s1
PubChem CID44300320
ChEMBLCHEMBL57287
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4031Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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