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Ligand

NameCHEMBL78339
Molecular formulaC18H28FN3O2
IUPAC name1-(2-fluoroethyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea
Molecular weight337.439
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.3
SynonymsBDBM50406659
1-[3-[3-(Piperidinomethyl)phenoxy]propyl]-3-(2-fluoroethyl)urea
Inchi KeyBNFNSTGIBNGTGC-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H28FN3O2/c19-8-10-21-18(23)20-9-5-13-24-17-7-4-6-16(14-17)15-22-11-2-1-3-12-22/h4,6-7,14H,1-3,5,8-13,15H2,(H2,20,21,23)
PubChem CID14994252
ChEMBLCHEMBL78339
IUPHARN/A
BindingDB50406659
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
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GLASS IDNameUniProtGeneSpeciesLength
28067Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359

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