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Ligand

NameBU-E-76
Molecular formulaC21H24F2N6
IUPAC name1-[3-(3,5-difluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
Molecular weight398.462
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.5
SynonymsACMC-20mkpo
Guanidine, N-(3-(3,5-difluorophenyl)-3-(2-pyridinyl)propyl)-N'-(3-(1H-imidazol-4-yl)propyl)-
BU-E 76
N(1)-(3-(3,5-Difluorophenyl)-3-pyridine-2-ylpropyl)-N(2)-(3-(1H-imidazol-4-yl)propyl)guanidine
CHEMBL59832
[ Show all ]
Inchi KeyAWNVXDSGXRUHRY-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24F2N6/c22-16-10-15(11-17(23)12-16)19(20-5-1-2-7-26-20)6-9-28-21(24)27-8-3-4-18-13-25-14-29-18/h1-2,5,7,10-14,19H,3-4,6,8-9H2,(H,25,29)(H3,24,27,28)
PubChem CID3081064
ChEMBLCHEMBL59832
IUPHARN/A
BindingDB50403482
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: 3
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GLASS IDNameUniProtGeneSpeciesLength
16201Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
16200Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359
16202Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384

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