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Ligand

NameCHEMBL1256255
Molecular formulaC39H48ClN5O5S3
IUPAC name5-chloro-N-[4-[8-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]octoxy]-3-piperazin-1-ylphenyl]-3-methyl-1-benzothiophene-2-sulfonamide
Molecular weight798.473
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP8.8
Synonyms5-Chloro-N-(4-{[8-({[5-(dimethylamino)-1-naphthyl]sulfonyl}-amino)octyl]oxy}-3-piperazin-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide
BDBM50328466
Inchi KeyAJFCFFCXDVYDDM-UHFFFAOYSA-N
Inchi IDInChI=1S/C39H48ClN5O5S3/c1-28-33-26-29(40)16-19-37(33)51-39(28)53(48,49)43-30-17-18-36(35(27-30)45-23-21-41-22-24-45)50-25-9-7-5-4-6-8-20-42-52(46,47)38-15-11-12-31-32(38)13-10-14-34(31)44(2)3/h10-19,26-27,41-43H,4-9,20-25H2,1-3H3
PubChem CID49781036
ChEMBLCHEMBL1256255
IUPHARN/A
BindingDB50328466
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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
68475-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440

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