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Ligand

NameCHEMBL246941
Molecular formulaC22H25N3O5
IUPAC name3-[[3,4-dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight411.458
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.3
Synonyms(R)-2-hydroxy-3-(2-(1-(4-isopropylfuran-2-yl)ethylamino)-3,4-dioxocyclobut-1-enylamino)-N,N-dimethylbenzamide
BDBM50211456
SCHEMBL12087245
Inchi KeyFPOWMMYKRZVTRO-GFCCVEGCSA-N
Inchi IDInChI=1S/C22H25N3O5/c1-11(2)13-9-16(30-10-13)12(3)23-17-18(21(28)20(17)27)24-15-8-6-7-14(19(15)26)22(29)25(4)5/h6-12,23-24,26H,1-5H3/t12-/m1/s1
PubChem CID9978981
ChEMBLCHEMBL246941
IUPHARN/A
BindingDB50211456
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
84210C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
84209C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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