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Ligand

NameCHEMBL578192
Molecular formulaC33H31F4N5O3S
IUPAC nameN-[(1R)-1-[3-(4-cyanophenyl)-8-cyclopropylimidazo[1,2-a]pyrazin-2-yl]ethyl]-N-[(1,1-dioxothian-4-yl)methyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
Molecular weight653.697
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP5.1
SynonymsBDBM50300905
N-{(R)-1-[3-(4-Cyano-phenyl)-8-cyclopropyl-imidazo[1,2-a]pyrazin-2-yl]-ethyl}-N-(1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ylmethyl)-2-(3-fluoro-4-trifluoromethyl-phenyl)-acetamide
Inchi KeyNQDZXGBUJMRXDE-HXUWFJFHSA-N
Inchi IDInChI=1S/C33H31F4N5O3S/c1-20(29-31(25-5-2-21(18-38)3-6-25)41-13-12-39-30(24-7-8-24)32(41)40-29)42(19-22-10-14-46(44,45)15-11-22)28(43)17-23-4-9-26(27(34)16-23)33(35,36)37/h2-6,9,12-13,16,20,22,24H,7-8,10-11,14-15,17,19H2,1H3/t20-/m1/s1
PubChem CID45379650
ChEMBLCHEMBL578192
IUPHARN/A
BindingDB50300905
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
229452C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
229453C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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