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Ligand

NameCHEMBL3342866
Molecular formulaC25H33N3O5S
IUPAC name8-(benzenesulfonyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
Molecular weight487.615
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.7
SynonymsBDBM50099456
Inchi KeyBVRXELLJAMJMOD-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33N3O5S/c1-31-24-10-6-5-9-23(24)27-17-15-26(16-18-27)19-21-20-32-25(33-21)11-13-28(14-12-25)34(29,30)22-7-3-2-4-8-22/h2-10,21H,11-20H2,1H3
PubChem CID118716713
ChEMBLCHEMBL3342866
IUPHARN/A
BindingDB50099456
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
4429995-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
442994Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
443000Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
442995Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
442996Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
442997Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
442998Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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