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Ligand

NameCHEMBL218066
Molecular formulaC36H34Br2ClNO7
IUPAC namebis[2-(3-bromophenyl)ethyl] 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight787.926
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP8.6
SynonymsN/A
Inchi KeyKVUGYLVHYCTZDJ-IPBJYNAHSA-N
Inchi IDInChI=1S/C36H34Br2ClNO7/c1-23(40-22-31(41)27-7-4-10-30(39)21-27)17-26-11-12-32-33(20-26)47-36(46-32,34(42)44-15-13-24-5-2-8-28(37)18-24)35(43)45-16-14-25-6-3-9-29(38)19-25/h2-12,18-21,23,31,40-41H,13-17,22H2,1H3/t23-,31+/m1/s1
PubChem CID44300534
ChEMBLCHEMBL218066
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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
179480Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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