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Ligand

NameCHEMBL1077831
Molecular formulaC30H27F7N4O5S
IUPAC nameN-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1R)-1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyrido[2,3-d]pyrimidin-2-yl]ethyl]acetamide
Molecular weight688.618
Hydrogen bond acceptor14
Hydrogen bond donor0
XlogP5.0
SynonymsKKZXIEYKPIMYPS-GOSISDBHSA-N
(R)-N-(2-Ethanesulfonyl-ethyl)-2-(4-fluoro-3-trifluoromethyl-phenyl)-N-(1-{4-oxo-3-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-3,4-dihydro-pyrido[2,3-d]pyrimidin-2-yl}-ethyl)-acetamide
SCHEMBL1886168
(R)-N-(2-(ethylsulfonyl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)-N-(1-(4-oxo-3-(4-(2,2,2-trifluoroethoxy)phenyl)-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)ethyl)acetamide
BDBM50310487
Inchi KeyKKZXIEYKPIMYPS-GOSISDBHSA-N
Inchi IDInChI=1S/C30H27F7N4O5S/c1-3-47(44,45)14-13-40(25(42)16-19-6-11-24(31)23(15-19)30(35,36)37)18(2)27-39-26-22(5-4-12-38-26)28(43)41(27)20-7-9-21(10-8-20)46-17-29(32,33)34/h4-12,15,18H,3,13-14,16-17H2,1-2H3/t18-/m1/s1
PubChem CID45101529
ChEMBLCHEMBL1077831
IUPHARN/A
BindingDB50310487
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
171720C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
171721C-X-C chemokine receptor type 3Q9JII9Cxcr3Rattus norvegicus (Rat)367
171722C-X-C chemokine receptor type 3Q5KSK8CXCR3Canis lupus familiaris (Dog)365
171723C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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