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Ligand

NameCHEMBL2372498
Molecular formulaC64H115N11O15
IUPAC name(3S,6S,9R,12S,15R,21S,24S,27S,30S,33S)-24-[(E,1R,2R)-1,6-dihydroxy-2-methylhex-4-enyl]-3-hydroxy-21-[(1R)-1-hydroxyethyl]-1,6,10,16,19,25,28-heptamethyl-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 weight1278.69
Hydrogen bond acceptor15
Hydrogen bond donor9
XlogP6.1
SynonymsBDBM50026921
Inchi KeyDKJXSKSIKYKEDU-JEMOSOMYSA-N
Inchi IDInChI=1S/C64H115N11O15/c1-34(2)28-44-59(85)72(20)47(31-37(7)8)55(81)65-42(16)54(80)69-64(90,40(13)14)63(89)73(21)48(32-38(9)10)57(83)67-45(29-35(3)4)60(86)74(22)51(39(11)12)62(88)75(23)52(53(79)41(15)26-24-25-27-76)58(84)68-50(43(17)77)61(87)70(18)33-49(78)71(19)46(30-36(5)6)56(82)66-44/h24-25,34-48,50-53,76-77,79,90H,26-33H2,1-23H3,(H,65,81)(H,66,82)(H,67,83)(H,68,84)(H,69,80)/b25-24+/t41-,42+,43-,44+,45+,46-,47-,48+,50+,51+,52+,53-,64+/m1/s1
PubChem CID73350277
ChEMBLCHEMBL2372498
IUPHARN/A
BindingDB50026921
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
62356fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350

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