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Ligand

NameCHEMBL254516
Molecular formulaC26H24ClN3O5
IUPAC name3-[[2-[1-[5-(3-chlorophenyl)furan-2-yl]propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight493.944
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP5.0
Synonyms3-(2-(1-(5-(3-chlorophenyl)furan-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
BDBM50233573
SCHEMBL12262780
Inchi KeyGHCHPHCRNIWWIR-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24ClN3O5/c1-4-17(20-12-11-19(35-20)14-7-5-8-15(27)13-14)28-21-22(25(33)24(21)32)29-18-10-6-9-16(23(18)31)26(34)30(2)3/h5-13,17,28-29,31H,4H2,1-3H3
PubChem CID44446580
ChEMBLCHEMBL254516
IUPHARN/A
BindingDB50233573
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
96327C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
96328C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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