Drug Information

Drug General Information
Drug ID
D08CMQ
Former ID
DNC005140
Drug Name
3-Isobutyl-[1,4]thiazepan-(5E)-ylideneamine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527266]
Formula
C9H18N2S
Canonical SMILES
CC(C)CC1CSCCC(=N1)N
InChI
1S/C9H18N2S/c1-7(2)5-8-6-12-4-3-9(10)11-8/h7-8H,3-6H2,1-2H3,(H2,10,11)
InChIKey
KMFANDQFKVBAJW-UHFFFAOYSA-N
PubChem Compound ID
18721725
Target and Pathway
Target(s) Nitric oxide synthase, inducible Target Info Inhibitor [527266]
Nitric-oxide synthase, brain Target Info Inhibitor [527266]
BioCyc Pathway Citrulline-nitric oxide cyclePWY-4983:Citrulline-nitric oxide cycle
KEGG Pathway Arginine biosynthesis
Arginine and proline metabolism
Metabolic pathways
Calcium signaling pathway
HIF-1 signaling pathway
Peroxisome
Salmonella infection
Pertussis
Leishmaniasis
Chagas disease (American trypanosomiasis)
Toxoplasmosis
Amoebiasis
Tuberculosis
Pathways in cancer
Small cell lung cancerhsa00330:Arginine and proline metabolism
Phagosome
Circadian entrainment
Long-term depression
Salivary secretion
Alzheimer's disease
Amyotrophic lateral sclerosis (ALS)
NetPath Pathway IL1 Signaling Pathway
IL2 Signaling PathwayNetPath_4:EGFR1 Signaling Pathway
PANTHER Pathway CCKR signaling map ST
Pathway Interaction Database IL12-mediated signaling events
Alpha9 beta1 integrin signaling events
ATF-2 transcription factor network
IL23-mediated signaling events
Signaling mediated by p38-alpha and p38-beta
HIF-1-alpha transcription factor network
PathWhiz Pathway Arginine and Proline Metabolism
Reactome ROS production in response to bacteria
Nitric oxide stimulates guanylate cyclaseR-HSA-1222556:ROS production in response to bacteria
Nitric oxide stimulates guanylate cyclase
WikiPathways Type II interferon signaling (IFNG)
Spinal Cord Injury
AGE/RAGE pathway
Effects of Nitric OxideWP727:Monoamine Transport
Myometrial Relaxation and Contraction Pathways
Amyotrophic lateral sclerosis (ALS)
Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
Alzheimers Disease
Effects of Nitric Oxide
Serotonin Transporter Activity
References
Ref 527266Bioorg Med Chem Lett. 2004 Dec 6;14(23):5907-11.Synthesis of analogs of (1,4)-3- and 5-imino oxazepane, thiazepane, and diazepane as inhibitors of nitric oxide synthases.
Ref 527266Bioorg Med Chem Lett. 2004 Dec 6;14(23):5907-11.Synthesis of analogs of (1,4)-3- and 5-imino oxazepane, thiazepane, and diazepane as inhibitors of nitric oxide synthases.