Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0V8XD
|
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| Former ID |
DNC004932
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| Drug Name |
(-)-SNAP-5399
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| Synonyms |
SNAP-5399
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C38H46N6O5
|
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| Canonical SMILES |
CCC1=C(C(C(=C(N1)COCCN)C(=O)NCCCN2CCC(CC2)(C3=CC=CC=C3)<br />C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)N
|
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| InChI |
1S/C38H46N6O5/c1-2-31-34(36(40)45)33(27-14-16-30(17-15-27)44(47)48)35(32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33,42H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)/t33-/m0/s1
|
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| InChIKey |
FLMJQBHJNDEDJH-XIFFEERXSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Alpha-1A adrenergic receptor | 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 | |||||
| PANTHER Pathway | Alpha adrenergic receptor signaling pathway | ||||
| 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 | |||||
| References | |||||
| REF 1 | Bioorg Med Chem Lett. 2005 Feb 1;15(3):657-64.Pharmacophore identification of alpha(1A)-adrenoceptor antagonists. | ||||
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