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Ligand

NameCHEMBL415446
Molecular formulaC21H23N3O4S
IUPAC name2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
Molecular weight413.492
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.7
Synonyms(R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylthiophen-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)benzamide
BDBM50200877
SCHEMBL12262763
Inchi KeyFVNZKJFLVPSOMX-CYBMUJFWSA-N
Inchi IDInChI=1S/C21H23N3O4S/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1
PubChem CID16098486
ChEMBLCHEMBL415446
IUPHARN/A
BindingDB50200877
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
88353C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
88354C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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