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Ligand

NameCHEMBL3337863
Molecular formulaC44H54Br2N4O
IUPAC name2-[(1S,9Z,11S,13S,17S,25Z,27S,28S,33S,35S,36S,38S)-38-ethyl-14,30-bis(prop-2-enyl)-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-yl]ethanol;dibromide
Molecular weight814.751
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogPNone
SynonymsBDBM50025031
Inchi KeyIJIRRGHTZSHFPY-SKYHGZCBSA-L
Inchi IDInChI=1S/C44H54N4O.2BrH/c1-4-18-47-20-16-43-35-11-7-10-14-38(35)46-26-34-32-24-40-44(17-21-48(40,19-5-2)28-30(32)15-22-49)36-12-8-9-13-37(36)45(42(34)44)25-33(41(43)46)31(23-39(43)47)29(6-3)27-47;;/h4-5,7-14,25-26,29-32,39-42,49H,1-2,6,15-24,27-28H2,3H3;2*1H/q+2;;/p-2/b33-25-,34-26-;;/t29-,30-,31+,32+,39+,40+,41+,42+,43-,44-,47?,48?;;/m1../s1
PubChem CID118714975
ChEMBLCHEMBL3337863
IUPHARN/A
BindingDB50025031
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
446996Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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