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Ligand

NameCHEMBL252258
Molecular formulaC26H32F4N4O2
IUPAC name1-[8-[(9-acetyl-9-azabicyclo[3.3.1]non-2-en-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
Molecular weight508.562
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50227866
1-(8-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)methyl)-8-aza-bicyclo[3.2.1]octan-3-yl)-3-(3-fluoro-5-(trifluoromethyl)phenyl)urea
Inchi KeyIENZWNOPOBXYDA-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32F4N4O2/c1-15(35)34-23-3-2-4-24(34)8-16(7-23)14-33-21-5-6-22(33)13-20(12-21)32-25(36)31-19-10-17(26(28,29)30)9-18(27)11-19/h7,9-11,20-24H,2-6,8,12-14H2,1H3,(H2,31,32,36)
PubChem CID24936155
ChEMBLCHEMBL252258
IUPHARN/A
BindingDB50227866
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
1313795-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1313775-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
131378C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367
131381C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
131376Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
131380Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
131382Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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