Synonyms: abaucin | RS102895
Compound class:
Synthetic organic
Comment: RS-102895 is a CCR2b antagonist [1,3]. The endogenous ligand for this GPCR is monocyte chemoattracant-1 (MCP-1), which stimulates leukocyte chemotaxis to inflammatory sites.
In the search for new antibacterials with activity against Acinetobacter baumannii (a nosocomial Gram-negative pathogen that often displays multidrug resistance), artificial intelligence (AI) algorithms were used to identify novel chemotypes. RS-102895 (renamed as abaucin) was identified using this approach, with narrow-spectrum in vitro and in vivo activity against A. baumannii [2]. ![]() Ligand Activity Visualisation ChartsThese are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts. ✖ |
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Classification ![]() |
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Compound class | Synthetic organic |
IUPAC Name ![]() |
1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one |
Synonyms ![]() |
abaucin | RS102895 |
Database Links ![]() |
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Specialist databases | |
Antibiotic DB
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Abaucin |
GPCRdb Ligand | RS-102895 |
Other databases | |
CAS Registry No. | 300815-41-2 (source: Scifinder) |
ChEMBL Ligand | CHEMBL1593104 |
GtoPdb PubChem SID | 135650935 |
PubChem CID | 10000456 |
RCSB PDB Ligand | R6Q |
Search Google for chemical match using the InChIKey | HIDWEYPGMLIQSN-UHFFFAOYSA-N |
Search Google for chemicals with the same backbone | HIDWEYPGMLIQSN |
UniChem Compound Search for chemical match using the InChIKey | HIDWEYPGMLIQSN-UHFFFAOYSA-N |
UniChem Connectivity Search for chemical match using the InChIKey | HIDWEYPGMLIQSN-UHFFFAOYSA-N |