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Ligand

NameCHEMBL562950
Molecular formulaC20H20BrN3O4S
IUPAC name5-bromo-3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight478.361
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.0
SynonymsSCHEMBL12262880
BDBM50297743
(R)-5-bromo-3-(3,4-dioxo-2-(1-(thiophen-2-yl)propylamino)cyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
Inchi KeyFKOXURHFSVXVQQ-GFCCVEGCSA-N
Inchi IDInChI=1S/C20H20BrN3O4S/c1-4-12(14-6-5-7-29-14)22-15-16(19(27)18(15)26)23-13-9-10(21)8-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3/t12-/m1/s1
PubChem CID45272873
ChEMBLCHEMBL562950
IUPHARN/A
BindingDB50297743
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
80699C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
80698C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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