Drug Information

Drug General Information
Drug ID
D0EO4F
Former ID
DNC003763
Drug Name
A-123189
Drug Type
Small molecular drug
Indication Discovery agent Investigative [468094]
Structure
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2D MOL

3D MOL
Formula
C26H28N4O3S
InChI
InChI=1S/C26H28N4O3S/c1-18-6-5-7-19(16-18)20-17-34-24-23(20)25(31)30(26(32)27-24)15-12-28-10-13-29(14-11-28)21-8-3-4-9-22(21)33-2/h3-9,16-17H,10-15H2,1-2H3,(H,27,32)
InChIKey
PANBMHHKBRMYAL-UHFFFAOYSA-N
PubChem Compound ID
9891167
PubChem Substance ID
14858892, 24176712, 45638102, 80750987, 103175662, 103996241, 128888076, 134340968, 135649868, 233402931
Target and Pathway
Target(s) Alpha-1A adrenergic receptor Target Info Inhibitor [527393]
Alpha-1B adrenergic receptor Target Info Inhibitor [526051]
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 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
Vitamin D Receptor Pathway
AMPK Signaling
References
Ref 468094(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 491).
Ref 526051Bioorg Med Chem Lett. 2001 May 7;11(9):1119-21.Two novel and potent 3-[(o-methoxyphenyl)piperazinylethyl]-5-phenylthien.
Ref 527393Bioorg Med Chem Lett. 2005 Feb 1;15(3):657-64.Pharmacophore identification of alpha(1A)-adrenoceptor antagonists.

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