Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01RGM
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| Former ID |
DNC002492
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| Drug Name |
S-Ethyl-N-[4-(Trifluoromethyl)Phenyl]Isothiourea
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| Synonyms |
TFPI hydrochloride; ETPI HCl; 163490-78-6; s-ethyl-n-[4-(trifluoromethyl)phenyl]isothiourea hydrochloride; S-Ethyl N-[4-Triflurormethyl)phenyl]isothio Urea, Hydrochloride; CHEMBL542855; SR-01000076170; EU-0101170; AC1MBZ30; C10H11F3N2S.HCl; SCHEMBL4425282; MolPort-027-641-133; 1762AH; NCGC00094428-04; NCGC00094428-03; NCGC00094428-02; NCGC00094428-01; FT-0668409; T 7188; J-010049; SR-01000076170-4; SR-01000076170-1; S-Ethyl N-[4-(trifluoromethyl)phenyl]isothiourea hydrochloride; ethyl 4-(trifluoromethyl)phenylcarbamimidothioate h
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C10H11F3N2S
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| Canonical SMILES |
CCSC(=NC1=CC=C(C=C1)C(F)(F)F)N
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| InChI |
1S/C10H11F3N2S/c1-2-16-9(14)15-8-5-3-7(4-6-8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15)
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| InChIKey |
LCMOXIFARISMOH-UHFFFAOYSA-N
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| CAS Number |
CAS 163490-40-2
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Nitric-oxide synthase brain (NOS1) | Target Info | Inhibitor | [1] |
| BioCyc | 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 | Top | |||
|---|---|---|---|---|
| REF 1 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||
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