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Ligand

NameCHEMBL262052
Molecular formulaC39H69NO12
IUPAC name(2R,3R,4S,11R,12S)-5-ethyl-11-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-3-hydroxy-9-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one
Molecular weight743.976
Hydrogen bond acceptor13
Hydrogen bond donor3
XlogP3.3
SynonymsBDBM50421369
Inchi KeyCVLATSXSEILGTD-DTZOFTIGSA-N
Inchi IDInChI=1S/C39H69NO12/c1-15-27-39(11,46-14)32(42)22(5)30-20(3)18-38(10,52-30)34(51-36-29(41)26(40(12)16-2)17-21(4)47-36)23(6)31(24(7)35(44)49-27)50-28-19-37(9,45-13)33(43)25(8)48-28/h21-29,31-34,36,41-43H,15-19H2,1-14H3/t21?,22-,23?,24?,25?,26?,27?,28-,29+,31?,32+,33-,34+,36?,37+,38-,39+/m0/s1
PubChem CID44380610
ChEMBLCHEMBL262052
IUPHARN/A
BindingDB50421369
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.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
51575Motilin receptorO43193MLNRHomo sapiens (Human)412

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