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Ligand

NameCHEMBL386134
Molecular formulaC52H44Br2F10N4O2
IUPAC name(15S,35S)-15,35-bis[(2,3,4,5,6-pentafluorophenyl)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;dibromide
Molecular weight1106.74
Hydrogen bond acceptor16
Hydrogen bond donor0
XlogPNone
Synonyms4,4'-Bis(pentafluorobenzyl)caracurinium V Dibromide
Inchi KeyCPDYWUNOGUFOPE-OTEPOZDXSA-L
Inchi IDInChI=1S/C52H44F10N4O2.2BrH/c53-37-27(38(54)42(58)45(61)41(37)57)21-65-13-11-51-29-5-1-3-7-31(29)63-47(51)35-25(17-33(51)65)23(19-65)10-16-68-50(35)64-32-8-4-2-6-30(32)52-12-14-66(22-28-39(55)43(59)46(62)44(60)40(28)56)20-24-9-15-67-49(63)36(48(52)64)26(24)18-34(52)66;;/h1-10,25-26,33-36,47-50H,11-22H2;2*1H/q+2;;/p-2/t25?,26?,33?,34?,35?,36?,47?,48?,49?,50?,51?,52?,65-,66-;;/m0../s1
PubChem CID44345687
ChEMBLCHEMBL386134
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
47257Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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