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Ligand

NameMEN-10627
Molecular formulaC38H48N8O7S
IUPAC name(1S,4S,7S,10S,13S,16S)-4-benzyl-7-(1H-indol-3-ylmethyl)-16-(2-methylpropyl)-13-(2-methylsulfanylethyl)-2,5,8,11,14,17,20-heptazabicyclo[8.8.4]docosane-3,6,9,12,15,18,21-heptone
Molecular weight760.911
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP2.0
Synonyms157351-81-0
CHEMBL334721
BDBM50366377
Inchi KeyCFDNUNSOUUFTQO-HPMAGDRPSA-N
Inchi IDInChI=1S/C38H48N8O7S/c1-21(2)15-27-34(49)41-26(13-14-54-3)33(48)45-30-18-32(47)40-20-31(38(53)42-27)46-35(50)28(16-22-9-5-4-6-10-22)43-36(51)29(44-37(30)52)17-23-19-39-25-12-8-7-11-24(23)25/h4-12,19,21,26-31,39H,13-18,20H2,1-3H3,(H,40,47)(H,41,49)(H,42,53)(H,43,51)(H,44,52)(H,45,48)(H,46,50)/t26-,27-,28-,29-,30-,31-/m0/s1
PubChem CID10327792
ChEMBLCHEMBL334721
IUPHARN/A
BindingDB50366377
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
40537Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
40538Substance-K receptorP21452TACR2Homo sapiens (Human)398
40539Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
40541Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
40540Substance-P receptorP25103TACR1Homo sapiens (Human)407

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