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Ligand

NameCHEMBL163956
Molecular formulaC14H14N4O2S
IUPAC name1-benzyl-3-(2-nitroanilino)thiourea
Molecular weight302.352
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.7
Synonyms4-Benzyl-1-(2-nitrophenyl)thiosemicarbazide
benzylamino-2-nitrobenzylhydrazinemethanethione
BDBM50085694
Inchi KeyARWQZIRXHFVTNN-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H14N4O2S/c19-18(20)13-9-5-4-8-12(13)16-17-14(21)15-10-11-6-2-1-3-7-11/h1-9,16H,10H2,(H2,15,17,21)
PubChem CID10662116
ChEMBLCHEMBL163956
IUPHARN/A
BindingDB50085694
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
12845B2 bradykinin receptorP25023Bdkrb2Rattus norvegicus (Rat)396

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