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Ligand

NameCHEMBL407071
Molecular formulaC52H52Br2N4O2+2
IUPAC name(9R,16S,18R,19R,20S,29R,36S,38R,39R,40S)-15,35-bis[(4-bromophenyl)methyl]-10,30-dioxa-8,28-diaza-15,35-diazoniatridecacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022,27.029,39.033,38]tetratetraconta-2,4,6,12,22,24,26,32-octaene
Molecular weight924.822
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP8.3
SynonymsBDBM50093889
CHEMBL1185319
Inchi KeyIPKLOQHQTQMRCV-JNGULWDMSA-N
Inchi IDInChI=1S/C52H52Br2N4O2/c53-35-13-9-31(10-14-35)27-57-21-19-51-39-5-1-3-7-41(39)55-47(51)45-37(25-43(51)57)33(29-57)18-24-60-50(45)56-42-8-4-2-6-40(42)52-20-22-58(28-32-11-15-36(54)16-12-32)30-34-17-23-59-49(55)46(48(52)56)38(34)26-44(52)58/h1-18,37-38,43-50H,19-30H2/q+2/t37-,38-,43-,44-,45+,46+,47-,48-,49+,50+,51?,52?,57?,58?/m0/s1
PubChem CID44319265
ChEMBLN/A
IUPHARN/A
BindingDB50093889
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
138657Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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