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Ligand

NameCHEMBL253051
Molecular formulaC20H20ClN3O5
IUPAC name3-[[2-[1-(5-chlorofuran-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight417.846
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.7
SynonymsBDBM50233581
SCHEMBL12574856
3-(2-(1-(5-chlorofuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
Inchi KeyGYUXYROXDXSLDH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20ClN3O5/c1-4-11(13-8-9-14(21)29-13)22-15-16(19(27)18(15)26)23-12-7-5-6-10(17(12)25)20(28)24(2)3/h5-9,11,22-23,25H,4H2,1-3H3
PubChem CID44446567
ChEMBLCHEMBL253051
IUPHARN/A
BindingDB50233581
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
108655C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
108656C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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