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Ligand

NameCHEMBL2372486
Molecular formulaC63H113N11O14
IUPAC name(3S,6S,9R,12S,15S,21S,24S,27S,30S,33S)-3-hydroxy-21-[(1R)-1-hydroxyethyl]-24-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,6,10,19,25,28-hexamethyl-9,12,15,30,33-pentakis(2-methylpropyl)-3,27-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Molecular weight1248.66
Hydrogen bond acceptor14
Hydrogen bond donor9
XlogP7.1
SynonymsBDBM50026915
Inchi KeyCYIMASFXSXECJB-UPTAYYKHSA-N
Inchi IDInChI=1S/C63H113N11O14/c1-24-25-26-40(16)52(77)51-57(82)68-49(42(18)75)60(85)70(19)32-48(76)65-43(27-33(2)3)54(79)66-44(28-34(4)5)58(83)71(20)46(30-36(8)9)55(80)64-41(17)53(78)69-63(88,39(14)15)62(87)72(21)47(31-37(10)11)56(81)67-45(29-35(6)7)59(84)73(22)50(38(12)13)61(86)74(51)23/h24-25,33-47,49-52,75,77,88H,26-32H2,1-23H3,(H,64,80)(H,65,76)(H,66,79)(H,67,81)(H,68,82)(H,69,78)/b25-24+/t40-,41+,42-,43+,44+,45+,46-,47+,49+,50+,51+,52-,63+/m1/s1
PubChem CID73348699
ChEMBLCHEMBL2372486
IUPHARN/A
BindingDB50026915
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This 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
53539fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350

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