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Ligand

NameCHEMBL3422017
Molecular formulaC20H18N6O2S
IUPAC name[(8R)-8-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
Molecular weight406.464
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.2
SynonymsBDBM50081197
SCHEMBL16049384
Inchi KeyMPIGZKVWBCATSN-GFCCVEGCSA-N
Inchi IDInChI=1S/C20H18N6O2S/c1-12-17-22-23-18(19-21-13(2)24-28-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-29-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1
PubChem CID71549767
ChEMBLCHEMBL3422017
IUPHARN/A
BindingDB50081197
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
449972Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
449973Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
449974Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
563968Substance-K receptorP21452TACR2Homo sapiens (Human)398
563969Substance-P receptorP25103TACR1Homo sapiens (Human)407

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