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Ligand

NameCHEMBL3342872
Molecular formulaC23H31N3O5S2
IUPAC name3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-thiophen-2-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
Molecular weight493.637
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP2.7
SynonymsBDBM50099462
Inchi KeyBHUCMEWUSAGOPR-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H31N3O5S2/c1-29-21-6-3-2-5-20(21)25-14-12-24(13-15-25)17-19-18-30-23(31-19)8-10-26(11-9-23)33(27,28)22-7-4-16-32-22/h2-7,16,19H,8-15,17-18H2,1H3
PubChem CID118716719
ChEMBLCHEMBL3342872
IUPHARN/A
BindingDB50099462
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
4426045-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
442606Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
442607Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
442603Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
442605Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
442602Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
442608Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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