Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0Z9XV
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| Former ID |
DIB020826
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| Drug Name |
RO1138452
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| Synonyms |
Ro-1138452
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C19H23N3O
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| Canonical SMILES |
CC(C)OC1=CC=C(C=C1)CC2=CC=C(C=C2)NC3=NCCN3
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| InChI |
1S/C19H23N3O/c1-14(2)23-18-9-5-16(6-10-18)13-15-3-7-17(8-4-15)22-19-20-11-12-21-19/h3-10,14H,11-13H2,1-2H3,(H2,20,21,22)
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| InChIKey |
GYYRMJMXXLJZAB-UHFFFAOYSA-N
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| CAS Number |
CAS 221529-58-4
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Prostacyclin receptor (PTGIR) | Target Info | Antagonist | [2] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Vascular smooth muscle contraction | ||||
| Platelet activation | ||||
| Pathwhiz Pathway | Intracellular Signalling Through Prostacyclin Receptor and Prostacyclin | |||
| Pathway Interaction Database | Thromboxane A2 receptor signaling | |||
| Reactome | Prostanoid ligand receptors | |||
| G alpha (s) signalling events | ||||
| WikiPathways | Prostaglandin Synthesis and Regulation | |||
| GPCRs, Class A Rhodopsin-like | ||||
| Small Ligand GPCRs | ||||
| Endothelin Pathways | ||||
| Platelet homeostasis | ||||
| 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: 1969). | |||
| REF 2 | RO1138452 and RO3244794: characterization of structurally distinct, potent and selective IP (prostacyclin) receptor antagonists. Br J Pharmacol. 2006 Feb;147(3):335-45. | |||
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