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Ligand

NameCHEMBL253706
Molecular formulaC25H26N4O6
IUPAC name3-[[2-[1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight478.505
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.6
Synonyms3-(2-(1-(4-(3,5-dimethylisoxazol-4-yl)furan-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
BDBM50233590
SCHEMBL12262843
Inchi KeyHPCHAHFHNCQQJC-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26N4O6/c1-6-16(18-10-14(11-34-18)19-12(2)28-35-13(19)3)26-20-21(24(32)23(20)31)27-17-9-7-8-15(22(17)30)25(33)29(4)5/h7-11,16,26-27,30H,6H2,1-5H3
PubChem CID44446604
ChEMBLCHEMBL253706
IUPHARN/A
BindingDB50233590
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
120564C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
120563C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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