Drug Information

Drug General Information
Drug ID
D0Q4PY
Former ID
DNC004150
Drug Name
RWJ-68157
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527393]
Structure
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2D MOL

3D MOL
Formula
C23H36N4O3
Canonical SMILES
CC(C)OC1=CC=CC=C1N2CCN(CC2)CCNC(=O)CN3CCCCCC3=O
InChI
1S/C23H36N4O3/c1-19(2)30-21-9-6-5-8-20(21)26-16-14-25(15-17-26)13-11-24-22(28)18-27-12-7-3-4-10-23(27)29/h5-6,8-9,19H,3-4,7,10-18H2,1-2H3,(H,24,28)
InChIKey
XHBOWUOETHUEOP-UHFFFAOYSA-N
PubChem Compound ID
9888164
Target and Pathway
Target(s) Alpha-1B adrenergic receptor Target Info Inhibitor [525785]
Alpha-1D adrenergic receptor Target Info Inhibitor [525785]
Alpha-1A adrenergic receptor Target Info Inhibitor [527393]
KEGG Pathway Calcium signaling pathway
cGMP-PKG signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Vascular smooth muscle contraction
Salivary secretionhsa04020:Calcium signaling pathway
AMPK 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
Vitamin D Receptor Pathway
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signaling
AMPK SignalingWP58:Monoamine GPCRs
GPCRs, OtherWP58:Monoamine GPCRs
Endothelin Pathways
AMPK Signaling
References
Ref 527393Bioorg Med Chem Lett. 2005 Feb 1;15(3):657-64.Pharmacophore identification of alpha(1A)-adrenoceptor antagonists.
Ref 525785Bioorg Med Chem Lett. 2000 May 15;10(10):1093-6.Novel arylpiperazines as selective alpha1-adrenergic receptor antagonists.
Ref 527393Bioorg Med Chem Lett. 2005 Feb 1;15(3):657-64.Pharmacophore identification of alpha(1A)-adrenoceptor antagonists.

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