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Ligand

NameCHEMBL379364
Molecular formulaC25H36N4O3S
IUPAC name2-methyl-N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide
Molecular weight472.648
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.8
SynonymsSCHEMBL3867617
BDBM50187391
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-isobutyramide
Inchi KeyIACGINNKBMVURM-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H36N4O3S/c1-20(2)25(30)27-22-7-6-8-23(19-22)29-17-15-28(16-18-29)14-5-4-13-26-33(31,32)24-11-9-21(3)10-12-24/h6-12,19-20,26H,4-5,13-18H2,1-3H3,(H,27,30)
PubChem CID10367560
ChEMBLCHEMBL379364
IUPHARN/A
BindingDB50187391
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1282685-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
128267Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450

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