Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D02IBM
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| Former ID |
DNC004568
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| Drug Name |
SQ-29548
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| Synonyms |
7-(3-((2-((Phenylamino)carbonyl)hydrazino)methyl)-7-oxabicyclo(221)hept-2-yl)-5-heptenoic acid; SQ 28053; (Z)-7-[(1R,4S,5R,6R)-5-[(2-(phenylcarbamoyl)hydrazinyl)methyl]-7-oxabicyclo[221]heptan-6-yl]hept-5-enoic acid; 98672-91-4; 98299-61-7; [3H]SQ29548; SQ-28053; [3H]SQ-29548; [3H]-SQ29548; [3H]SQ-28053; GTPL1985; GTPL1980; 5-Heptenoic acid, 7-((1R,2R,3R,4S)-3-((2-((phenylamino)carbonyl)hydrazino)methyl)-7-oxabicyclo(221)hept-2-yl)-, (5Z)-rel-; 5-Heptenoic acid,
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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 |
C21H29N3O4
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| Canonical SMILES |
C1CC2C(C(C1O2)CC=CCCCC(=O)O)CNNC(=O)NC3=CC=CC=C3
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| InChI |
1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18-,19+/m1/s1
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| InChIKey |
RJNDVCNWVBWHLY-OQMICVBCSA-N
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| CAS Number |
CAS 98299-61-7
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Thromboxane A2 receptor (TBXA2R) | Target Info | Inhibitor | [2], [3] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Platelet activation | ||||
| Reactome | Prostanoid ligand receptors | |||
| G alpha (q) signalling events | ||||
| G alpha (12/13) signalling events | ||||
| Thromboxane signalling through TP receptor | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Small Ligand GPCRs | ||||
| Signal amplification | ||||
| 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: 1985). | |||
| REF 2 | The utilization of recombinant prostanoid receptors to determine the affinities and selectivities of prostaglandins and related analogs. Biochim Biophys Acta. 2000 Jan 17;1483(2):285-93. | |||
| REF 3 | Novel synthesis and biochemical properties of an [125I]-labeled photoaffinity probe for thromboxane A2/prostaglandin H2 receptors. J Med Chem. 1991 Apr;34(4):1511-4. | |||
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