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Ligand

NameCHEMBL3608688
Molecular formulaC16H12F4N6OS
IUPAC name(4-fluorophenyl)-[(8R)-8-methyl-3-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
Molecular weight412.367
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP2.1
SynonymsBDBM50112180
SCHEMBL16143835
Inchi KeyRLKUYZTZCXMODG-MRVPVSSYSA-N
Inchi IDInChI=1S/C16H12F4N6OS/c1-8-11-22-23-12(13-21-15(24-28-13)16(18,19)20)26(11)7-6-25(8)14(27)9-2-4-10(17)5-3-9/h2-5,8H,6-7H2,1H3/t8-/m1/s1
PubChem CID86272102
ChEMBLCHEMBL3608688
IUPHARN/A
BindingDB50112180
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
499881Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
499882Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452

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