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Ligand

NameCHEMBL3220653
Molecular formulaC16H23N9S
IUPAC name2-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]butyl]-1-cyano-3-(2-phenylsulfanylethyl)guanidine
Molecular weight373.483
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP2.2
SynonymsN/A
Inchi KeyBTLGXJUDLJOGSO-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H23N9S/c17-12-22-15(21-10-11-26-13-6-2-1-3-7-13)19-8-4-5-9-20-16-23-14(18)24-25-16/h1-3,6-7H,4-5,8-11H2,(H2,19,21,22)(H4,18,20,23,24,25)
PubChem CID90667250
ChEMBLCHEMBL3220653
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
32436Histamine H2 receptorP25021HRH2Homo sapiens (Human)359

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