Drug General Information
Drug ID	D01RGM
Former ID	DNC002492
Drug Name	S-Ethyl-N-[4-(Trifluoromethyl)Phenyl]Isothiourea
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[551374]
Structure		Download 2D MOL 3D MOL
Formula	C10H12ClF3N2S
Canonical SMILES	CCSC(=NC1=CC=C(C=C1)C(F)(F)F)N.Cl
InChI	1S/C10H11F3N2S.ClH/c1-2-16-9(14)15-8-5-3-7(4-6-8)10(11,12)13;/h3-6H,2H2,1H3,(H2,14,15);1H
InChIKey	UVJQIYZYQQKIAC-UHFFFAOYSA-N
PubChem Compound ID	2733516
PubChem Substance ID	3153187, 17405726, 30091339, 50107096, 50994468, 53778276, 85195053, 92303131, 103671200, 111358667, 124891692, 124891693, 124891694, 125334769, 162225570, 230355283, 252467588
Target and Pathway
Target(s)	Nitric-oxide synthase, brain	Target Info	Inhibitor	[551374]
BioCyc Pathway	Citrulline-nitric oxide cycle
KEGG Pathway	Arginine and proline metabolism
	Metabolic pathways
	Calcium signaling pathway
	Phagosome
	Circadian entrainment
	Long-term depression
	Salivary secretion
	Alzheimer's disease
	Amyotrophic lateral sclerosis (ALS)
NetPath Pathway	EGFR1 Signaling Pathway
PANTHER Pathway	CCKR signaling map ST
PathWhiz Pathway	Arginine and Proline Metabolism
Reactome	ROS production in response to bacteria
	Nitric oxide stimulates guanylate cyclase
WikiPathways	Monoamine Transport
	Myometrial Relaxation and Contraction Pathways
	Amyotrophic lateral sclerosis (ALS)
	Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
	Spinal Cord Injury
	Alzheimers Disease
	Effects of Nitric Oxide
	Serotonin Transporter Activity
References
Ref 551374	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
Ref 551374	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.

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