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Ligand

NameCHEMBL279084
Molecular formulaC29H19F4N5O
IUPAC name1-[3-[6-(2-fluorophenyl)-1-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]prop-2-ynyl]-3,4-dihydroquinolin-2-one
Molecular weight529.499
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.4
Synonyms1-{3-[6-(2-Fluoro-phenyl)-1-trifluoromethyl-4H-2,3,5,10b-tetraaza-benzo[e]azulen-8-yl]-prop-2-ynyl}-3,4-dihydro-1H-quinolin-2-one
BDBM50011617
1-{3-[6-(2-fluorophenyl)-1-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][4,1]benzodiazepin-8-yl]-2-propynyl}-3,4-dihydro-2(1H)-quinolinone
BINQRKBZDCSMSE-UHFFFAOYSA-N
1-Trifluoromethyl-6-(2-fluorophenyl)-8-[3-[(1,2,3,4-tetrahydro-2-oxoquinolin)-1-yl]-1-propynyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
[ Show all ]
Inchi KeyBINQRKBZDCSMSE-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H19F4N5O/c30-22-9-3-2-8-20(22)27-21-16-18(6-5-15-37-23-10-4-1-7-19(23)12-14-26(37)39)11-13-24(21)38-25(17-34-27)35-36-28(38)29(31,32)33/h1-4,7-11,13,16H,12,14-15,17H2
PubChem CID14851920
ChEMBLCHEMBL279084
IUPHARN/A
BindingDB50011617
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24592Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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