Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0X5MA
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| Former ID |
DIB020030
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| Drug Name |
I-BOP
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| Synonyms |
I-BOP; 128719-90-4; AC1NSK5B; GTPL1938; CHEMBL2113346; C23H29IO5; BDBM82512; ZINC13649924; 1795AH; CAS_128719-90-4; (Z)-7-[(1S,4R,5R,6R)-5-[(E,3R)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid; (Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid; 7-[(1S,2R,3R,4R)-3-[(1E,3R)-3-HYDROXY-4-(4-IODOPHENOXY)-1-BUTENYL]-7-OXABICYCLO[2.2.1]HEPT-2-YL]-5Z-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 |
C23H29IO5
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| Canonical SMILES |
C1CC2C(C(C1O2)CC=CCCCC(=O)O)C=CC(COC3=CC=C(C=C3)I)O
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| InChI |
1S/C23H29IO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19-,20-,21+,22-/m1/s1
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| InChIKey |
UYFMSCHBODMWON-HBHIRWTLSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Prostaglandin E2 receptor EP3 (PTGER3) | Target Info | Agonist | [2] |
| Prostaglandin F2-alpha receptor (PTGFR) | Target Info | Agonist | [2] | |
| Thromboxane A2 receptor (TBXA2R) | Target Info | Agonist | [2] | |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Platelet activation | ||||
| cAMP signaling pathway | ||||
| Regulation of lipolysis in adipocytes | ||||
| Pathways in cancer | ||||
| NetPath Pathway | IL2 Signaling Pathway | |||
| Reactome | Prostanoid ligand receptors | |||
| G alpha (q) signalling events | ||||
| G alpha (12/13) signalling events | ||||
| Thromboxane signalling through TP receptor | ||||
| G alpha (i) signalling events | ||||
| 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 | ||||
| Prostaglandin Synthesis and Regulation | ||||
| GPCRs, Other | ||||
| 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: 1938). | |||
| REF 2 | Ligand binding specificities of the eight types and subtypes of the mouse prostanoid receptors expressed in Chinese hamster ovary cells. Br J Pharmacol. 1997 Sep;122(2):217-24. | |||
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