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Ligand

NameCHEMBL246107
Molecular formulaC28H36N4O6
IUPAC name2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-[4-(4-morpholin-4-ylbutyl)furan-2-yl]propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
Molecular weight524.618
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.3
Synonyms(R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(4-(4-morpholinobutyl)furan-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)benzamide
BDBM50211461
SCHEMBL12087259
Inchi KeyGOXKLDRNSZHYPN-HXUWFJFHSA-N
Inchi IDInChI=1S/C28H36N4O6/c1-4-20(22-16-18(17-38-22)8-5-6-11-32-12-14-37-15-13-32)29-23-24(27(35)26(23)34)30-21-10-7-9-19(25(21)33)28(36)31(2)3/h7,9-10,16-17,20,29-30,33H,4-6,8,11-15H2,1-3H3/t20-/m1/s1
PubChem CID10481927
ChEMBLCHEMBL246107
IUPHARN/A
BindingDB50211461
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
101645C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
101644C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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