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Ligand

NameCHEMBL607810
Molecular formulaC42H50N8O8
IUPAC name(3S,6S,9S,12S,18S)-6-(4-aminobutyl)-3,12-bis[(4-hydroxyphenyl)methyl]-9-(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Molecular weight794.91
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP2.3
SynonymsBDBM50304254
(6S,9S,12S,15S,20aS)-9-((1H-indol-3-yl)methyl)-12-(4-aminobutyl)-6,15-bis(4-hydroxybenzyl)tetradecahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecine-1,4,7,10,13,16-hexaone
Inchi KeyDUACTPOAIGDHJE-XYPUQJIVSA-N
Inchi IDInChI=1S/C42H50N8O8/c43-18-4-3-8-32-38(54)49-35(21-26-12-16-29(52)17-13-26)42(58)50-19-5-9-36(50)41(57)45-24-37(53)46-33(20-25-10-14-28(51)15-11-25)39(55)48-34(40(56)47-32)22-27-23-44-31-7-2-1-6-30(27)31/h1-2,6-7,10-17,23,32-36,44,51-52H,3-5,8-9,18-22,24,43H2,(H,45,57)(H,46,53)(H,47,56)(H,48,55)(H,49,54)/t32-,33-,34-,35-,36-/m0/s1
PubChem CID46225602
ChEMBLCHEMBL607810
IUPHARN/A
BindingDB50304254
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
68835Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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