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Ligand

NameCHEMBL390167
Molecular formulaC41H48N8O6
IUPAC name1-[2-[[(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
Molecular weight748.885
Hydrogen bond acceptor7
Hydrogen bond donor7
XlogP2.2
SynonymsN/A
Inchi KeyHHGHXNWCIDSTKU-WNWUTZSISA-N
Inchi IDInChI=1S/C41H48N8O6/c42-38(52)28-15-17-49(18-16-28)25-37(51)47-35-22-36(50)46-34(21-29-23-43-32-14-8-7-13-31(29)32)41(55)48-33(20-27-11-5-2-6-12-27)40(54)45-30(24-44-39(35)53)19-26-9-3-1-4-10-26/h1-14,23,28,30,33-35,43H,15-22,24-25H2,(H2,42,52)(H,44,53)(H,45,54)(H,46,50)(H,47,51)(H,48,55)/t30-,33+,34+,35-/m1/s1
PubChem CID11468591
ChEMBLCHEMBL390167
IUPHARN/A
BindingDBN/A
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
114893Substance-K receptorP21452TACR2Homo sapiens (Human)398
114894Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390

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