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Ligand

NameSMR000647258
Molecular formulaC28H27N5O5
IUPAC nameN-[2-(3,4-dimethoxyphenyl)ethyl]-7-(furan-2-ylmethyl)-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Molecular weight513.554
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.4
SynonymsAC1MMS4M
MLS001139261
MLS003903623
CHEMBL1525074
MolPort-002-623-027
[ Show all ]
Inchi KeyAPKOQCUSZOFHDO-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27N5O5/c1-17-6-4-12-32-25(17)31-26-21(28(32)35)15-20(24(29)33(26)16-19-7-5-13-38-19)27(34)30-11-10-18-8-9-22(36-2)23(14-18)37-3/h4-9,12-15,29H,10-11,16H2,1-3H3,(H,30,34)
PubChem CID3265869
ChEMBLCHEMBL1525074
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11087Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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