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Ligand

NameMLS000768518
Molecular formulaC22H25Br2N3O3
IUPAC name4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-8,9-dibromo-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Molecular weight539.268
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.1
Synonyms2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5,6-dibromohexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
4-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]-8,9-dibromo-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
4-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethyl]-8,9-dibromo-4-aza-tricyclo[5.2.1.0*2,6*]decane-3,5-dione
488786-61-4
AK-918/12348037
[ Show all ]
Inchi KeyDSDQIJMWSKQXQQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25Br2N3O3/c23-19-14-10-15(20(19)24)18-17(14)21(29)27(22(18)30)12-16(28)26-8-6-25(7-9-26)11-13-4-2-1-3-5-13/h1-5,14-15,17-20H,6-12H2
PubChem CID5129939
ChEMBLCHEMBL1446321
IUPHARN/A
BindingDB46805
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
67492Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
67491Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
67490Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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