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Ligand

NameCHEMBL3804906
Molecular formulaC12H18N6
IUPAC name1-cyano-3-[[(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methyl]-2-methylguanidine
Molecular weight246.318
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP0.6
SynonymsBDBM50170118
Inchi KeyWYMMYOFAUJTQKL-UWVGGRQHSA-N
Inchi IDInChI=1S/C12H18N6/c1-14-12(17-7-13)16-5-9-2-3-10(4-9)11-6-15-8-18-11/h6,8-10H,2-5H2,1H3,(H,15,18)(H2,14,16,17)/t9-,10-/m0/s1
PubChem CID127051301
ChEMBLCHEMBL3804906
IUPHARN/A
BindingDB50170118
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
532363Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
532362Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
532360Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
532359Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390
532361Histamine H4 receptorQ91ZY2Hrh4Mus musculus (Mouse)391

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