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Ligand

NameCHEMBL225588
Molecular formulaC44H54N8O6
IUPAC nameN-[(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide
Molecular weight790.966
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP3.1
SynonymsN/A
Inchi KeyFKXMTDOSYPOSDS-QJMCPCMJSA-N
Inchi IDInChI=1S/C44H54N8O6/c53-40-26-39(49-41(54)29-51-17-15-34(16-18-51)52-19-21-58-22-20-52)42(55)46-28-33(23-30-9-3-1-4-10-30)47-43(56)37(24-31-11-5-2-6-12-31)50-44(57)38(48-40)25-32-27-45-36-14-8-7-13-35(32)36/h1-14,27,33-34,37-39,45H,15-26,28-29H2,(H,46,55)(H,47,56)(H,48,53)(H,49,54)(H,50,57)/t33-,37+,38+,39-/m1/s1
PubChem CID9853827
ChEMBLCHEMBL225588
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
80944Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
444934Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
80943Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
444933Substance-K receptorP21452TACR2Homo sapiens (Human)398
80941Substance-P receptorP25103TACR1Homo sapiens (Human)407
80942Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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