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Ligand

NameCHEMBL220182
Molecular formulaC23H23N3O6
IUPAC name3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight437.452
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.4
SynonymsBDBM50200875
SCHEMBL12086710
(R)-3-(2-(1-(benzo[d][1,3]dioxol-5-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
Inchi KeyARPPAIXHGDGLEQ-CQSZACIVSA-N
Inchi IDInChI=1S/C23H23N3O6/c1-4-14(12-8-9-16-17(10-12)32-11-31-16)24-18-19(22(29)21(18)28)25-15-7-5-6-13(20(15)27)23(30)26(2)3/h5-10,14,24-25,27H,4,11H2,1-3H3/t14-/m1/s1
PubChem CID16098480
ChEMBLCHEMBL220182
IUPHARN/A
BindingDB50200875
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
12655C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
12654C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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