Drug General Information
Drug ID
D0XK2K
Former ID
DNC012651
Drug Name
Siramesine
Drug Type
Small molecular drug
Indication Discovery agent Terminated [545008]
Structure
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2D MOL

3D MOL

Formula
C30H31FN2O
Canonical SMILES
C1CN(CCC12C3=CC=CC=C3CO2)CCCCC4=CN(C5=CC=CC=C54)C6=CC=C<br />(C=C6)F
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
InChIKey
XWAONOGAGZNUSF-UHFFFAOYSA-N
CAS Number
CAS 147817-50-3
PubChem Compound ID
Target and Pathway
Target(s) Alpha-1A adrenergic receptor Target Info Inhibitor [533739]
Alpha-1D adrenergic receptor Target Info Inhibitor [533739]
Alpha-1B adrenergic receptor Target Info Inhibitor [533739]
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 secretionhsa04020:Calcium signaling pathway
Salivary secretion
NetPath Pathway IL2 Signaling PathwayNetPath_14:IL2 Signaling Pathway
PANTHER Pathway Alpha adrenergic receptor signaling pathwayP00002:Alpha adrenergic receptor signaling pathway
Pathway Interaction Database LPA receptor mediated events
Reactome Adrenoceptors
G alpha (q) signalling events
G alpha (12/13) signalling eventsR-HSA-390696:Adrenoceptors
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 SignalingWP58:Monoamine GPCRs
GPCRs, OtherWP58:Monoamine GPCRs
Vitamin D Receptor Pathway
AMPK Signaling
References
Ref 545008Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001859)
Ref 533739J Med Chem. 1995 May 26;38(11):1998-2008.Sigma ligands with subnanomolar affinity and preference for the sigma 2 binding site. 1. 3-(omega-aminoalkyl)-1H-indoles.

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