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Ligand

NameCHEMBL1242445
Molecular formulaC26H33N3O4
IUPAC name1-[[(2R,4R)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-dioxolan-2-yl]methyl]pyrrolidin-2-one
Molecular weight451.567
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.4
SynonymsBDBM50416778
Inchi KeyAOZOBKDTJZCKJE-GJZUVCINSA-N
Inchi IDInChI=1S/C26H33N3O4/c1-31-24-11-6-5-10-23(24)28-16-14-27(15-17-28)18-22-19-32-26(33-22,21-8-3-2-4-9-21)20-29-13-7-12-25(29)30/h2-6,8-11,22H,7,12-20H2,1H3/t22-,26+/m1/s1
PubChem CID52948119
ChEMBLCHEMBL1242445
IUPHARN/A
BindingDB50416778
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
107775-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
10776Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
10781Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
10780Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
10782Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
10778Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
10779Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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