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
PubChem Substance ID
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 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.

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