Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| 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 [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C38H46N6O5
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| Canonical SMILES |
CCC1=C(C(C(=C(N1)COCCN)C(=O)NCCCN2CCC(CC2)(C3=CC=CC=C3)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 | Top | |||
|---|---|---|---|---|
| Target(s) | Adrenergic receptor alpha-1A (ADRA1A) | 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Pharmacophore identification of alpha(1A)-adrenoceptor antagonists. Bioorg Med Chem Lett. 2005 Feb 1;15(3):657-64. | |||
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