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Ligand

NameCHEMBL330810
Molecular formulaC43H54N8O6
IUPAC name3-[(2R,5S,8R,11S,14R)-5,14-dibenzyl-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-8-yl]propanamide
Molecular weight778.955
Hydrogen bond acceptor7
Hydrogen bond donor8
XlogP3.3
SynonymsBDBM50407236
Inchi KeySBNHYQCMMRRNSC-GPGBMJNMSA-N
Inchi IDInChI=1S/C43H54N8O6/c1-27(2)21-31-26-47-35(22-28-11-5-3-6-12-28)42(56)49-34(17-18-38(44)52)41(55)51-37(24-30-25-46-33-16-10-9-15-32(30)33)43(57)50-36(23-29-13-7-4-8-14-29)40(54)45-20-19-39(53)48-31/h3-16,25,27,31,34-37,46-47H,17-24,26H2,1-2H3,(H2,44,52)(H,45,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)/t31-,34-,35+,36-,37+/m1/s1
PubChem CID44347002
ChEMBLCHEMBL330810
IUPHARN/A
BindingDB50407236
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
310209Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
310210Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384

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