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Ligand

NameCHEMBL20033
Molecular formulaC28H18ClN5O2
IUPAC name2-[3-[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]prop-2-ynyl]isoindole-1,3-dione
Molecular weight491.935
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.7
Synonyms1-Methyl-6-(2-chlorophenyl)-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
BDBM50011659
SCHEMBL9379492
2-{3-[6-(2-Chloro-phenyl)-1-methyl-4H-2,3,5,10b-tetraaza-benzo[e]azulen-8-yl]-prop-2-ynyl}-isoindole-1,3-dione
Inchi KeyCMMNDFAEJOVKBM-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H18ClN5O2/c1-17-31-32-25-16-30-26(21-10-4-5-11-23(21)29)22-15-18(12-13-24(22)34(17)25)7-6-14-33-27(35)19-8-2-3-9-20(19)28(33)36/h2-5,8-13,15H,14,16H2,1H3
PubChem CID14851837
ChEMBLCHEMBL20033
IUPHARN/A
BindingDB50011659
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
45482Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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