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Ligand

NameCHEMBL218115
Molecular formulaC20H21N3O5
IUPAC name3-[[2-[[(1R)-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight383.404
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.7
SynonymsSCHEMBL12087264
BDBM50200878
(R)-3-(2-(1-(furan-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
Inchi KeyJBJWLRHFBRZPOP-GFCCVEGCSA-N
Inchi IDInChI=1S/C20H21N3O5/c1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3/h5-10,12,21-22,24H,4H2,1-3H3/t12-/m1/s1
PubChem CID10150526
ChEMBLCHEMBL218115
IUPHARN/A
BindingDB50200878
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
146759C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
146760C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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