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CHEBI:233356 - NBI-74330

Default Structure
ChEBI IDCHEBI:233356
ChEBI NameNBI-74330
Stars
DefinitionNBI-74330 is a potent antagonist for CXCR3, and exhibits potent inhibition of (125I)CXCL10 and (125I)CXCL11 specific binding with Ki of 1.5 and 3.2 nM, respectively.
Submitterlbonaobra
DownloadsMolfile
FormulaC32H27F4N5O3
Net Charge0
Average Mass605.592
Monoisotopic Mass605.20500
SMILESCCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(F)c(C(F)(F)F)c3)nc3ncccc3c2=O)cc1
InChIInChI=1S/C32H27F4N5O3/c1-3-44-24-11-9-23(10-12-24)41-30(39-29-25(31(41)43)7-5-15-38-29)20(2)40(19-22-6-4-14-37-18-22)28(42)17-21-8-13-27(33)26(16-21)32(34,35)36/h4-16,18,20H,3,17,19H2,1-2H3/t20-/m1/s1
InChIKeyXMRGQUDUVGRCBS-HXUWFJFHSA-N
ChEBI Ontology
Outgoing Relation(s)
NBI-74330 (CHEBI:233356) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
855527-92-3SUBMITTER
(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)-N-(pyridin-3-ylmethyl)acetamideSUBMITTER
Registry NumbersSources
CAS:855527-92-3SUBMITTER