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Ligand

NameCHEMBL523807
Molecular formulaC19H14Cl2F3N3O5
IUPAC name3-[[2-[[(1S)-1-(4,5-dichlorofuran-2-yl)-2,2,2-trifluoroethyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight492.232
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP4.5
SynonymsBDBM50248501
(S)-3-(2-(1-(4,5-dichlorofuran-2-yl)-2,2,2-trifluoroethylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
Inchi KeyJAQGOALYPJHHST-INIZCTEOSA-N
Inchi IDInChI=1S/C19H14Cl2F3N3O5/c1-27(2)18(31)7-4-3-5-9(13(7)28)25-11-12(15(30)14(11)29)26-16(19(22,23)24)10-6-8(20)17(21)32-10/h3-6,16,25-26,28H,1-2H3/t16-/m0/s1
PubChem CID44565099
ChEMBLCHEMBL523807
IUPHARN/A
BindingDB50248501
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
146178C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
146177C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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