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Ligand

NameCHEMBL164848
Molecular formulaC21H21N5O4S2
IUPAC name1-benzyl-3-[4-(benzylsulfamoyl)-2-nitroanilino]thiourea
Molecular weight471.55
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP4.2
Synonyms1N-benzyl-4-benzylamino(thioxo)methylhydrazine-3-nitro-1-benzenesulfonamide
BDBM50085689
4-Benzyl-1-[4-[(benzylamino)sulfonyl]-2-nitrophenyl]thiosemicarbazide
Inchi KeyGHGRXPKZAXAJFP-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21N5O4S2/c27-26(28)20-13-18(32(29,30)23-15-17-9-5-2-6-10-17)11-12-19(20)24-25-21(31)22-14-16-7-3-1-4-8-16/h1-13,23-24H,14-15H2,(H2,22,25,31)
PubChem CID10504589
ChEMBLCHEMBL164848
IUPHARN/A
BindingDB50085689
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
96477B2 bradykinin receptorP25023Bdkrb2Rattus norvegicus (Rat)396

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