Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0XK2K
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| Former ID |
DNC012651
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| Drug Name |
Siramesine
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| Synonyms |
Siramesine; 147817-50-3; Lu-28-179; UNII-3IX8CWR24V; Lu 28-179; Siramesine(Lu 28-179); 3IX8CWR24V; CHEMBL61479; 1'-(4-(1-(4-fluorophenyl)-1H-indol-3-yl)butyl)-3H-spiro[isobenzofuran-1,4'-piperidine]; Siramesine [INN]; SCHEMBL2090079; QCR-66; C30H31FN2O; EX-A355; DTXSID90163810; XWAONOGAGZNUSF-UHFFFAOYSA-N; ZINC1533883; BCP08745; 4042AH; BDBM50035105; AKOS027251054; CS-1920; API0014138; NCGC00370727-06; HY-14221; 163630-80-6; 1'-(4-(1-(p-Fluorophenyl)indol-3-yl)butyl)spiro(phthalan-1,4'-piperidine)
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| Drug Type |
Small molecular drug
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| Structure |
 |
Download2D MOL |
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| Formula |
C30H31FN2O
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| Canonical SMILES |
C1CN(CCC12C3=CC=CC=C3CO2)CCCCC4=CN(C5=CC=CC=C54)C6=CC=C(C=C6)F
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| InChI |
1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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| InChIKey |
XWAONOGAGZNUSF-UHFFFAOYSA-N
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| CAS Number |
CAS 147817-50-3
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adrenergic receptor alpha-1A (ADRA1A) | Target Info | Inhibitor | [1] |
| Adrenergic receptor alpha-1B (ADRA1B) | Target Info | Inhibitor | [1] | |
| Adrenergic receptor alpha-1D (ADRA1D) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Calcium signaling pathway | |||
| cGMP-PKG signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| AMPK signaling pathway | ||||
| Adrenergic signaling in cardiomyocytes | ||||
| Vascular smooth muscle contraction | ||||
| Salivary secretion | ||||
| NetPath Pathway | IL2 Signaling Pathway | |||
| Panther Pathway | Alpha adrenergic receptor signaling pathway | |||
| Pathway Interaction Database | LPA receptor mediated events | |||
| Reactome | Adrenoceptors | |||
| G alpha (q) signalling events | ||||
| G alpha (12/13) signalling events | ||||
| WikiPathways | Monoamine GPCRs | |||
| Calcium Regulation in the Cardiac Cell | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Endothelin Pathways | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| AMPK Signaling | ||||
| GPCRs, Other | ||||
| Vitamin D Receptor Pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Sigma ligands with subnanomolar affinity and preference for the sigma 2 binding site. 1. 3-(omega-aminoalkyl)-1H-indoles. J Med Chem. 1995 May 26;38(11):1998-2008. | |||
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