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Ligand

NameCHEMBL3422015
Molecular formulaC23H23N5O2S
IUPAC name[(8R)-8-methyl-3-(2-propan-2-yl-1,3-oxazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
Molecular weight433.53
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.1
SynonymsSCHEMBL16048085
BDBM50081196
Inchi KeyGYGRAOHPQAELJF-OAHLLOKOSA-N
Inchi IDInChI=1S/C23H23N5O2S/c1-14(2)22-24-18(13-30-22)21-26-25-20-15(3)27(10-11-28(20)21)23(29)17-8-6-16(7-9-17)19-5-4-12-31-19/h4-9,12-15H,10-11H2,1-3H3/t15-/m1/s1
PubChem CID90417914
ChEMBLCHEMBL3422015
IUPHARN/A
BindingDB50081196
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
445976Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
445973Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
445974Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
445975Substance-K receptorP21452TACR2Homo sapiens (Human)398
445972Substance-P receptorP25103TACR1Homo sapiens (Human)407

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