Drug Information

Drug General Information
Drug ID
D0I2XM
Former ID
DNC010594
Drug Name
L-796568
Drug Type
Small molecular drug
Indication Obesity [ICD9: 278; ICD10:E66] Phase 1 [526432]
Structure
Download
2D MOL

3D MOL
Formula
C31H27F3N4O3S2
Canonical SMILES
C1=CC(=CN=C1)C(CNCCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)<br />C4=NC(=CS4)C5=CC=C(C=C5)C(F)(F)F)O.Cl.Cl
InChI
1S/C31H27F3N4O3S2.2ClH/c32-31(33,34)25-9-5-22(6-10-25)28-20-42-30(37-28)23-7-13-27(14-8-23)43(40,41)38-26-11-3-21(4-12-26)15-17-36-19-29(39)24-2-1-16-35-18-24;;/h1-14,16,18,20,29,36,38-39H,15,17,19H2;2*1H/t29-;;/m0../s1
InChIKey
CANSTXQBARAFMV-UJXPALLWSA-N
PubChem Compound ID
3038500
Target and Pathway
Target(s) Beta-2 adrenergic receptor Target Info Inhibitor [530748]
Beta-1 adrenergic receptor Target Info Inhibitor [530748]
KEGG Pathway Calcium signaling pathway
cGMP-PKG signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Endocytosis
Adrenergic signaling in cardiomyocytes
Salivary secretionhsa04020:Calcium signaling pathway
Gap junction
Salivary secretion
Dilated cardiomyopathy
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Beta2 adrenergic receptor signaling pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Beta1 adrenergic receptor signaling pathway
Pathway Interaction Database Arf6 trafficking events
Arf6 signaling events
PathWhiz Pathway Muscle/Heart Contraction
Reactome Adrenoceptors
G alpha (s) signalling eventsR-HSA-390696:Adrenoceptors
G alpha (s) signalling events
WikiPathways Monoamine GPCRs
Calcium Regulation in the Cardiac Cell
GPCRs, Class A Rhodopsin-like
Vitamin D Receptor Pathway
GPCR ligand binding
GPCR downstream signaling
GPCRs, OtherWP58:Monoamine GPCRs
Endothelin Pathways
References
Ref 526432Effect of a 28-d treatment with L-796568, a novel beta(3)-adrenergic receptor agonist, on energy expenditure and body composition in obese men. Am J Clin Nutr. 2002 Oct;76(4):780-8.
Ref 530748Bioorg Med Chem Lett. 2010 Mar 15;20(6):1895-9. Epub 2010 Feb 4.Heterocyclic acetamide and benzamide derivatives as potent and selective beta3-adrenergic receptor agonists with improved rodent pharmacokinetic profiles.

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