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Ligand

NameCHEMBL3701192
Molecular formulaC25H27N3O7
IUPAC name3-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]-4-[[(5-methylfuran-2-yl)-(3-methyloxetan-3-yl)methyl]amino]cyclobut-3-ene-1,2-dione
Molecular weight481.505
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP2.1
SynonymsSCHEMBL14894651
3-[2-Hydroxy-3-(morpholine-4-carbonyl)phenylamino]-4-{[(5-methylfuran-2-yl)-(3-methyloxetan-3-yl)methyl]amino}cyclobut-3-ene-1,2-dione
GENDPWSLDZSRJG-UHFFFAOYSA-N
Inchi KeyGENDPWSLDZSRJG-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N3O7/c1-14-6-7-17(35-14)23(25(2)12-34-13-25)27-19-18(21(30)22(19)31)26-16-5-3-4-15(20(16)29)24(32)28-8-10-33-11-9-28/h3-7,23,26-27,29H,8-13H2,1-2H3
PubChem CID71525345
ChEMBLCHEMBL3701192
IUPHARN/A
BindingDB172335
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
474560C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
517820C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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