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Ligand

NameCHEMBL3342860
Molecular formulaC27H32F3N3O4
IUPAC name[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-[4-(trifluoromethyl)phenyl]methanone
Molecular weight519.565
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50099444
Inchi KeyAEOKAVWIADBGHU-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32F3N3O4/c1-35-24-5-3-2-4-23(24)32-16-14-31(15-17-32)18-22-19-36-26(37-22)10-12-33(13-11-26)25(34)20-6-8-21(9-7-20)27(28,29)30/h2-9,22H,10-19H2,1H3
PubChem CID118716707
ChEMBLCHEMBL3342860
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4418505-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
441849Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
441854Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
441852Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
441853Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
441851Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
441855Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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