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Ligand

NameCHEMBL20194
Molecular formulaC28H15F4N5O2
IUPAC name2-[3-[6-(2-fluorophenyl)-1-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]prop-2-ynyl]isoindole-1,3-dione
Molecular weight529.455
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50011631
2-{3-[6-(2-fluorophenyl)-1-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][4,1]benzodiazepin-8-yl]-2-ProPynyl}-1H-isoindole-1,3(2H)-dione
BEZCSEHUPFTOSA-UHFFFAOYSA-N
1-Trifluoromethyl-6-(2-fluorophenyl)-8-[3-[(2,3-dihydro-1,3-dioxo-1H-isoindol)-2-yl]-1-propynyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
SCHEMBL9382688
[ Show all ]
Inchi KeyBEZCSEHUPFTOSA-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H15F4N5O2/c29-21-10-4-3-9-19(21)24-20-14-16(6-5-13-36-25(38)17-7-1-2-8-18(17)26(36)39)11-12-22(20)37-23(15-33-24)34-35-27(37)28(30,31)32/h1-4,7-12,14H,13,15H2
PubChem CID14851908
ChEMBLCHEMBL20194
IUPHARN/A
BindingDB50011631
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
22057Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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