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Ligand

NameCHEMBL283152
Molecular formulaC29H20FN5O2
IUPAC name2-[3-[1-ethyl-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]prop-2-ynyl]isoindole-1,3-dione
Molecular weight489.51
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.0
Synonyms1-Ethyl-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
BDBM50011620
SCHEMBL9382672
2-{3-[1-Ethyl-6-(2-fluoro-phenyl)-4H-2,3,5,10b-tetraaza-benzo[e]azulen-8-yl]-prop-2-ynyl}-isoindole-1,3-dione
Inchi KeyCTRLDMFOIYQMMB-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H20FN5O2/c1-2-25-32-33-26-17-31-27(21-11-5-6-12-23(21)30)22-16-18(13-14-24(22)35(25)26)8-7-15-34-28(36)19-9-3-4-10-20(19)29(34)37/h3-6,9-14,16H,2,15,17H2,1H3
PubChem CID14851895
ChEMBLCHEMBL283152
IUPHARN/A
BindingDB50011620
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
50374Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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