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Ligand

NameCHEMBL162200
Molecular formulaC20H26N4O3S
IUPAC name4-[methyl(methylsulfonyl)amino]-N-[(4-phenylpiperazin-2-yl)methyl]benzamide
Molecular weight402.513
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.6
SynonymsBDBM50001910
N-[4-(Phenyl)-2-piperazinylmethyl]-4-(N-methyl-N-methylsulfonylamino)benzamide
4-(Methanesulfonyl-methyl-amino)-N-(4-phenyl-piperazin-2-ylmethyl)-benzamide
SCHEMBL9593703
Inchi KeyKYAHCCSGINNXKL-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H26N4O3S/c1-23(28(2,26)27)18-10-8-16(9-11-18)20(25)22-14-17-15-24(13-12-21-17)19-6-4-3-5-7-19/h3-11,17,21H,12-15H2,1-2H3,(H,22,25)
PubChem CID14998855
ChEMBLCHEMBL162200
IUPHARN/A
BindingDB50001910
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
180918Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
180919Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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