Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D00OMW
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| Former ID |
DIB019939
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| Drug Name |
group E 1682-2106
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| Synonyms |
CHEMBL1770295; 3-methyl-2-[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid; AC1NT1C6; GTPL5827; MolPort-000-500-334; BDBM50418364; AKOS016308025; AKOS002200571; ST50147548; UNM000000513101; group E 1682-2106 [PMID:16118363]; 3-METHYL-2-[(5Z)-5-(1-METHYL-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]BUTANOIC ACID; 3-methyl-2-[5-(1-methyl-2-oxobenzo[d]azolin-3-ylidene)-4-oxo-2-thioxo(1,3-thia zolidin-3-yl)]butanoic acid
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL
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| Formula |
C17H16N2O4S2
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| Canonical SMILES |
CC(C)C(C(=O)O)N1C(=O)C(=C2C3=CC=CC=C3N(C2=O)C)SC1=S
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| InChI |
1S/C17H16N2O4S2/c1-8(2)12(16(22)23)19-15(21)13(25-17(19)24)11-9-6-4-5-7-10(9)18(3)14(11)20/h4-8,12H,1-3H3,(H,22,23)/b13-11-
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| InChIKey |
ICRQMQBVDGOOFY-QBFSEMIESA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | N-formyl peptide receptor (FPR1) | Target Info | Antagonist | [1] |
| KEGG Pathway | Rap1 signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Staphylococcus aureus infection | ||||
| NetPath Pathway | Leptin Signaling Pathway | |||
| Panther Pathway | Inflammation mediated by chemokine and cytokine signaling pathway | |||
| Pathway Interaction Database | Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling | |||
| Reactome | G alpha (i) signalling events | |||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Human Complement System | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Integration of virtual screening with high-throughput flow cytometry to identify novel small molecule formylpeptide receptor antagonists. Mol Pharmacol. 2005 Nov;68(5):1301-10. | |||
| REF 2 | 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: 5827). | |||
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