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Ligand

Namemitemcinal
Molecular formulaC40H69NO12
IUPAC name(2S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-ene-3,7-dione
Molecular weight755.987
Hydrogen bond acceptor13
Hydrogen bond donor2
XlogP4.1
SynonymsAC1OCF81
UNII-6X5NRJ664L
154738-42-8
Mitemcinal [INN]
BDBM85390
[ Show all ]
Inchi KeyBELMMAAWNYFCGF-PZXAHSFZSA-N
Inchi IDInChI=1S/C40H69NO12/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3/t22-,23+,24+,25-,26+,27+,28-,29+,30-,32+,34+,35-,37+,38-,39-,40-/m1/s1
PubChem CID6918267
ChEMBLN/A
IUPHARN/A
BindingDBN/A
DrugBankDB06587

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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
548134Motilin receptorO43193MLNRHomo sapiens (Human)412

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