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Ligand

NameCHEMBL3898651
Molecular formulaC17H14F4N6O2
IUPAC name(4-fluorophenyl)-[(8S)-8-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
Molecular weight410.333
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP1.9
SynonymsN/A
Inchi KeyBGZYIPYUGYCEIV-VIFPVBQESA-N
Inchi IDInChI=1S/C17H14F4N6O2/c1-9-13-23-24-14(15-22-12(25-29-15)8-17(19,20)21)27(13)7-6-26(9)16(28)10-2-4-11(18)5-3-10/h2-5,9H,6-8H2,1H3/t9-/m0/s1
PubChem CID134133876
ChEMBLCHEMBL3898651
IUPHARN/A
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
548154Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
548155Substance-K receptorP21452TACR2Homo sapiens (Human)398
548156Substance-P receptorP25103TACR1Homo sapiens (Human)407

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