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Ligand

NameCHEMBL252697
Molecular formulaC19H20N4O5
IUPAC name2-hydroxy-N,N-dimethyl-3-[[2-[1-(1,3-oxazol-4-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
Molecular weight384.392
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.0
SynonymsBDBM50233569
2-hydroxy-N,N-dimethyl-3-(2-(1-(oxazol-4-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)benzamide
Inchi KeyHGTGVULEPQRUEB-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20N4O5/c1-4-11(13-8-28-9-20-13)21-14-15(18(26)17(14)25)22-12-7-5-6-10(16(12)24)19(27)23(2)3/h5-9,11,21-22,24H,4H2,1-3H3
PubChem CID44446608
ChEMBLCHEMBL252697
IUPHARN/A
BindingDB50233569
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
114524C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
114523C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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