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Ligand

NameCHEMBL164551
Molecular formulaC22H22N4O4S2
IUPAC nameN-benzyl-3-nitro-4-[2-(3-phenylpropanethioyl)hydrazinyl]benzenesulfonamide
Molecular weight470.562
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.7
SynonymsN-Benzyl-3-nitro-4-[N''-(3-phenyl-thiopropionyl)-hydrazino]-benzenesulfonamide
BDBM50085695
Inchi KeyPOGDBSJQJPPCJN-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22N4O4S2/c27-26(28)21-15-19(32(29,30)23-16-18-9-5-2-6-10-18)12-13-20(21)24-25-22(31)14-11-17-7-3-1-4-8-17/h1-10,12-13,15,23-24H,11,14,16H2,(H,25,31)
PubChem CID10790547
ChEMBLCHEMBL164551
IUPHARN/A
BindingDB50085695
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
264727B2 bradykinin receptorP25023Bdkrb2Rattus norvegicus (Rat)396

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