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Ligand

NameCHEMBL433192
Molecular formulaC38H51N9O7
IUPAC name3-[(2R,5S,8R,11S,14R)-5-(2-amino-2-oxoethyl)-14-benzyl-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 weight745.882
Hydrogen bond acceptor8
Hydrogen bond donor9
XlogP0.2
SynonymsBDBM50407237
Inchi KeyDNOKLFORSDRELW-GQZMCTKHSA-N
Inchi IDInChI=1S/C38H51N9O7/c1-22(2)16-25-21-43-29(19-33(40)49)37(53)45-28(12-13-32(39)48)36(52)47-31(18-24-20-42-27-11-7-6-10-26(24)27)38(54)46-30(17-23-8-4-3-5-9-23)35(51)41-15-14-34(50)44-25/h3-11,20,22,25,28-31,42-43H,12-19,21H2,1-2H3,(H2,39,48)(H2,40,49)(H,41,51)(H,44,50)(H,45,53)(H,46,54)(H,47,52)/t25-,28-,29+,30-,31+/m1/s1
PubChem CID44346706
ChEMBLCHEMBL433192
IUPHARN/A
BindingDB50407237
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
64536Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
64537Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384

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