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Ligand

NameCHEMBL3805663
Molecular formulaC20H26N6
IUPAC name1-cyano-2-[[(1R,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methyl]-3-(3-phenylpropyl)guanidine
Molecular weight350.47
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP2.9
SynonymsBDBM50170125
Inchi KeyCKOTYYLRRLWBGH-MSOLQXFVSA-N
Inchi IDInChI=1S/C20H26N6/c21-14-25-20(23-10-4-7-16-5-2-1-3-6-16)24-12-17-8-9-18(11-17)19-13-22-15-26-19/h1-3,5-6,13,15,17-18H,4,7-12H2,(H,22,26)(H2,23,24,25)/t17-,18+/m1/s1
PubChem CID127052292
ChEMBLCHEMBL3805663
IUPHARN/A
BindingDB50170125
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522813Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
522816Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
522814Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
522815Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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