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Ligand

NameCHEMBL51985
Molecular formulaC27H41N2O4+
IUPAC name4-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butyl-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-methyl-propylazanium
Molecular weight457.635
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.6
SynonymsCHEMBL1178971
BDBM50036872
[4-(7,9-Dioxo-8-aza-spiro[4.5]dec-8-yl)-butyl]-(5-methoxy-chroman-3-yl)-methyl-propyl-ammonium; iodide
Inchi KeyJKDNPVDWERGGAV-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H41N2O4/c1-4-15-29(2,21-17-22-23(32-3)10-9-11-24(22)33-20-21)16-8-7-14-28-25(30)18-27(19-26(28)31)12-5-6-13-27/h9-11,21H,4-8,12-20H2,1-3H3/q+1
PubChem CID10008463
ChEMBLN/A
IUPHARN/A
BindingDB50036872
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1529205-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
1529155-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
1529175-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
152921Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
152918Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452
152919D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
152916D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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