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Ligand

NameCHEMBL3342858
Molecular formulaC24H32N4O3
IUPAC name3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane
Molecular weight424.545
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.9
SynonymsBDBM50099442
Inchi KeyFHQARSACZPJNBL-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H32N4O3/c1-29-22-7-3-2-6-21(22)27-16-14-26(15-17-27)18-20-19-30-24(31-20)9-12-28(13-10-24)23-8-4-5-11-25-23/h2-8,11,20H,9-10,12-19H2,1H3
PubChem CID118716705
ChEMBLCHEMBL3342858
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4447875-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
444785Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
444786Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
444789Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
444791Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
444788Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
444790Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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