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Ligand

NameCHEMBL2372473
Molecular formulaC66H120N12O12
IUPAC name(3S,6S,9S,12R,15S,18R,21R,24R,30S,33S)-12-(4-aminobutyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhept-4-enyl]-1,4,7,10,15,19,25,28-octamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-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 weight1273.76
Hydrogen bond acceptor13
Hydrogen bond donor6
XlogP7.7
SynonymsBDBM50026940
Inchi KeyAYVHYWIWAWDDDT-JDHQUYPXSA-N
Inchi IDInChI=1S/C66H120N12O12/c1-24-26-27-30-44(15)56(80)55-60(84)69-46(25-2)61(85)72(17)37-52(79)73(18)48(33-38(3)4)59(83)71-53(42(11)12)65(89)74(19)49(34-39(5)6)58(82)68-45(16)57(81)70-47(31-28-29-32-67)62(86)75(20)50(35-40(7)8)63(87)76(21)51(36-41(9)10)64(88)77(22)54(43(13)14)66(90)78(55)23/h26-27,38-51,53-56,80H,24-25,28-37,67H2,1-23H3,(H,68,82)(H,69,84)(H,70,81)(H,71,83)/b27-26+/t44-,45+,46+,47-,48-,49-,50+,51+,53-,54+,55+,56-/m1/s1
PubChem CID73350275
ChEMBLCHEMBL2372473
IUPHARN/A
BindingDB50026940
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
17825fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350

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