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Ligand

NameCHEMBL349817
Molecular formulaC21H19N5O3S
IUPAC name4-[2-(benzhydrylcarbamothioyl)hydrazinyl]-3-nitrobenzamide
Molecular weight421.475
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP4.3
Synonyms4-(Diphenylmethyl)-1-[4-(aminocarbonyl)-2-nitrophenyl]thiosemicarbazide
4-benzhydrylamino(thioxo)methylhydrazine-3-nitrobenzamide
BDBM50085685
Inchi KeyMKNNVXBMTPOSRN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H19N5O3S/c22-20(27)16-11-12-17(18(13-16)26(28)29)24-25-21(30)23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,24H,(H2,22,27)(H2,23,25,30)
PubChem CID10788314
ChEMBLCHEMBL349817
IUPHARN/A
BindingDBN/A
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
207737B2 bradykinin receptorP25023Bdkrb2Rattus norvegicus (Rat)396

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