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Ligand

NameCHEMBL280210
Molecular formulaC30H20ClN5OS
IUPAC name2-[3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]prop-2-ynyl]-3H-benzo[de]isoquinolin-1-one
Molecular weight534.034
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.5
Synonyms2-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-prop-2-ynyl}-2,3-dihydro-benzo[de]isoquinolin-1-one
BDBM50011602
SCHEMBL9382431
4-(2-Chlorophenyl)-9-methyl-2-[3-[(2,3-dihydro-1-oxo-1H-benzo[de]isoquinoline)-2-yl]-1-propynyl]-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
Inchi KeyDVHGXORTECZRMT-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H20ClN5OS/c1-18-33-34-26-16-32-28(22-11-2-3-13-25(22)31)24-15-21(38-30(24)36(18)26)10-6-14-35-17-20-9-4-7-19-8-5-12-23(27(19)20)29(35)37/h2-5,7-9,11-13,15H,14,16-17H2,1H3
PubChem CID14851875
ChEMBLCHEMBL280210
IUPHARN/A
BindingDB50011602
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
69932Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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