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Ligand

NameCHEMBL285556
Molecular formulaC24H39N3O4
IUPAC nametert-butyl N-[4-oxo-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butyl]carbamate
Molecular weight433.593
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50403561
Inchi KeyGXWHNNAJEOYVNF-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H39N3O4/c1-24(2,3)31-23(29)26-13-8-12-22(28)25-14-9-17-30-21-11-7-10-20(18-21)19-27-15-5-4-6-16-27/h7,10-11,18H,4-6,8-9,12-17,19H2,1-3H3,(H,25,28)(H,26,29)
PubChem CID44281291
ChEMBLCHEMBL285556
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
107948Histamine H2 receptorP25102Hrh2Rattus norvegicus (Rat)358

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