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Ligand

NameCHEMBL277678
Molecular formulaC28H18Cl2N6OS
IUPAC name5-chloro-9-[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]-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-one
Molecular weight557.453
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.1
Synonyms4-(2-Chlorophenyl)-2-[3-[(7-chloro-2,3-dihydro-2-oxo-1H-pyrrolo[1,2,3-de]quinoxalin)-1-yl]-1-propynyl]-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
7-Chloro-1-{3-[4-(2-chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-prop-2-ynyl}-1H-pyrrolo[1,2,3-de]quinoxalin-2-one
BDBM50011629
Inchi KeyACIILAYQYVDPCM-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H18Cl2N6OS/c1-16-32-33-24-14-31-26(18-6-2-3-7-21(18)29)20-13-17(38-28(20)36(16)24)5-4-11-35-23-9-8-22(30)19-10-12-34(27(19)23)15-25(35)37/h2-3,6-10,12-13H,11,14-15H2,1H3
PubChem CID44273385
ChEMBLCHEMBL277678
IUPHARN/A
BindingDB50011629
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
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GLASS IDNameUniProtGeneSpeciesLength
1606Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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