Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0M8CJ
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| Former ID |
DIB020859
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| Drug Name |
RS-102895
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| Synonyms |
RS102895; RS-102895; GTPL779; SCHEMBL9972649; CHEMBL1593104; CHEBI:93458; ZINC2563946; BCP05302; HY-18611A; AKOS030526775; CS-3487; NCGC00092306-02; AJ-40982; KB-62464; BRD-K83063356-003-01-7; 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one; 1-(4-(Trifluoromethyl)phenethyl)spiro[benzo[d][1,3]oxazine-4,4-piperidin]-2(1H)-one hydrochloride
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C21H21F3N2O2
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| Canonical SMILES |
C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CCC4=CC=C(C=C4)C(F)(F)F
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| InChI |
1S/C21H21F3N2O2/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20/h1-8H,9-14H2,(H,25,27)
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| InChIKey |
HIDWEYPGMLIQSN-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:93458
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | C-C chemokine receptor type 2 (CCR2) | Target Info | Antagonist | [2] |
| KEGG Pathway | Cytokine-cytokine receptor interaction | |||
| Chemokine signaling pathway | ||||
| NetPath Pathway | TCR Signaling Pathway | |||
| IL2 Signaling Pathway | ||||
| TGF_beta_Receptor Signaling Pathway | ||||
| Leptin Signaling Pathway | ||||
| RANKL Signaling Pathway | ||||
| Panther Pathway | Inflammation mediated by chemokine and cytokine signaling pathway | |||
| Reactome | Beta defensins | |||
| Chemokine receptors bind chemokines | ||||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Defensins | ||||
| Spinal Cord Injury | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 779). | |||
| REF 2 | Identification of the binding site for a novel class of CCR2b chemokine receptor antagonists: binding to a common chemokine receptor motif within t... J Biol Chem. 2000 Aug 18;275(33):25562-71. | |||
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