Drug Information

Drug General Information
Drug ID
D0IR4Y
Former ID
DNC004428
Drug Name
2-(2-Amino-ethyl)-7-imino-azepane
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526140]
Structure
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2D MOL

3D MOL
Formula
C8H17N3
Canonical SMILES
C1CCC(=NC(C1)CCN)N
InChI
1S/C8H17N3/c9-6-5-7-3-1-2-4-8(10)11-7/h7H,1-6,9H2,(H2,10,11)
InChIKey
KENFUNZIVHXJNM-UHFFFAOYSA-N
PubChem Compound ID
9995251
Target and Pathway
Target(s) Nitric oxide synthase, inducible Target Info Inhibitor [526140]
Nitric-oxide synthase, brain Target Info Inhibitor [526140]
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 526140Bioorg Med Chem Lett. 2001 Oct 8;11(19):2651-3.Selective heterocyclic amidine inhibitors of human inducible nitric oxide synthase.
Ref 526140Bioorg Med Chem Lett. 2001 Oct 8;11(19):2651-3.Selective heterocyclic amidine inhibitors of human inducible nitric oxide synthase.

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