Drug Information

Drug General Information
Drug ID
D0V8XD
Former ID
DNC004932
Drug Name
(-)-SNAP-5399
Synonyms
SNAP-5399
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527393]
Structure
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2D MOL

3D MOL
Formula
C38H46N6O5
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
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
InChIKey
FLMJQBHJNDEDJH-XIFFEERXSA-N
PubChem Compound ID
44390708
Target and Pathway
Target(s) Alpha-1A adrenergic receptor Target Info Inhibitor [527393]
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 527393Bioorg Med Chem Lett. 2005 Feb 1;15(3):657-64.Pharmacophore identification of alpha(1A)-adrenoceptor antagonists.
Ref 527393Bioorg Med Chem Lett. 2005 Feb 1;15(3):657-64.Pharmacophore identification of alpha(1A)-adrenoceptor antagonists.

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