Detailed information for compound 327161
Basic information
Technical information
- TDR Targets ID: 327161
- Name: 3-ethyl-2,3,6,7-tetrahydro-1,4-thiazepin-5-am ine
- MW: 158.264 | Formula: C7H14N2S
-
H donors: 1
H acceptors: 0
LogP: 0.33
Rotable bonds: 1
Rule of 5 violations (Lipinski): 1 - SMILES: CCC1CSCCC(=N1)N
- InChi: 1S/C7H14N2S/c1-2-6-5-10-4-3-7(8)9-6/h6H,2-5H2,1H3,(H2,8,9)
- InChiKey: BJFMNSRYUNDINA-UHFFFAOYSA-N
Network
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Synonyms
- (3-ethyl-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl)amine
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | nitric oxide synthase 2, inducible | Starlite/ChEMBL | References |
| Homo sapiens | nitric oxide synthase 3 (endothelial cell) | Starlite/ChEMBL | References |
| Homo sapiens | nitric oxide synthase 1 (neuronal) | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | NADPH dependent diflavin oxidoreductase 1 | 0.0091 | 0.6792 | 0.6201 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | growth hormone secretagogue receptor type 1 | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | fmrfamide receptor | 0.0113 | 1 | 1 |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | TYRA-2 protein | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0113 | 1 | 1 |
| Plasmodium falciparum | nitric oxide synthase, putative | 0.0091 | 0.6792 | 0.5 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus granulosus | NADPH cytochrome P450 reductase | 0.0091 | 0.6792 | 0.6201 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | g-protein coupled receptor | 0.0113 | 1 | 1 |
| Brugia malayi | Unidentified vitellogenin-linked transcript protein 6, putative | 0.0113 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0113 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0113 | 1 | 1 |
| Brugia malayi | GnHR receptor homolog | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | G-protein-linked acetylcholine receptor protein 2 | 0.0113 | 1 | 1 |
| Brugia malayi | Dopamine receptor protein 1, putative (partial) | 0.0113 | 1 | 1 |
| Brugia malayi | follicle stimulating hormone receptor | 0.0113 | 1 | 1 |
| Brugia malayi | putative neuropeptide receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | neuropeptide F receptor | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Schistosoma mansoni | myosin xvIII | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide Y receptor | 0.0113 | 1 | 1 |
| Brugia malayi | larval opioid receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | G-protein coupled receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/somatostatin)-like receptor | 0.0113 | 1 | 1 |
| Echinococcus granulosus | peptide allatostatin:somatostatin | 0.0113 | 1 | 1 |
| Echinococcus granulosus | orexin receptor type 2 | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide FF receptor 2 | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Brugia malayi | Dopamine receptor protein 2 | 0.0113 | 1 | 1 |
| Schistosoma mansoni | growth hormone secretagogue receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus granulosus | fmrfamide receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Brugia malayi | Dopamine receptor | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Echinococcus multilocularis | serotonin receptor | 0.0113 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0113 | 1 | 1 |
| Schistosoma mansoni | neuropeptide f receptor 76f | 0.0113 | 1 | 1 |
| Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0091 | 0.6792 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Brugia malayi | neuropeptide F receptor | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | g protein linked acetylcholine receptor gar 2a | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0113 | 1 | 1 |
| Echinococcus granulosus | pyroglutamylated rfamide peptide receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0113 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0113 | 1 | 1 |
| Brugia malayi | G protein-coupled receptor | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | peptide (allatostatin:somatostatin) | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0113 | 1 | 1 |
| Schistosoma mansoni | peptide (allatostatin)-like receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | adenoreceptor | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | fmrfamide receptor | 0.0113 | 1 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Brugia malayi | G-protein coupled receptor | 0.0113 | 1 | 1 |
| Brugia malayi | sulfakinin receptor protein | 0.0113 | 1 | 1 |
| Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0091 | 0.6792 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0113 | 1 | 1 |
| Leishmania major | NADPH-cytochrome p450 reductase-like protein | 0.0091 | 0.6792 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0113 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | g protein linked acetylcholine receptor gar 2a | 0.0113 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor A26 | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0113 | 1 | 1 |
| Plasmodium vivax | NADPH-cytochrome p450 reductase, putative | 0.0091 | 0.6792 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/neurokinin-3)-like receptor | 0.0113 | 1 | 1 |
| Trypanosoma cruzi | NADPH-dependent FMN/FAD containing oxidoreductase, putative | 0.0091 | 0.6792 | 0.5 |
| Loa Loa (eye worm) | neuropeptide F receptor | 0.0113 | 1 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0113 | 1 | 1 |
| Echinococcus granulosus | neuropeptide s receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0113 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | 7TM GPCR, rhodopsin | 0.0113 | 1 | 1 |
| Schistosoma mansoni | muscarinic acetylcholine (GAR) receptor | 0.0113 | 1 | 1 |
| Brugia malayi | Serotonin/octopamine receptor family protein 7 | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | G-protein coupled receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | melatonin receptor type 1A | 0.0113 | 1 | 1 |
| Echinococcus granulosus | sex peptide receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | follicle stimulating hormone receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0091 | 0.6792 | 0.6201 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus granulosus | neuropeptides capa receptor | 0.0113 | 1 | 1 |
| Brugia malayi | putative neuropeptide receptor NPR1 | 0.0113 | 1 | 1 |
| Schistosoma mansoni | alpha-1 adrenergic receptor | 0.0113 | 1 | 1 |
| Echinococcus granulosus | 7TM GPCR rhodopsin | 0.0113 | 1 | 1 |
| Brugia malayi | G-protein-linked acetylcholine receptor protein 2, putative | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0113 | 1 | 1 |
| Brugia malayi | Serotonin receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Echinococcus multilocularis | NADPH cytochrome P450 reductase | 0.0091 | 0.6792 | 0.6201 |
| Brugia malayi | Melatonin receptor type 1A | 0.0113 | 1 | 1 |
| Echinococcus granulosus | 7tm_1 domain containing protein | 0.0113 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | G protein coupled 5 hydroxytryptamine receptor | 0.0113 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Brugia malayi | RE15519p | 0.0113 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0113 | 1 | 1 |
| Schistosoma mansoni | 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase | 0.0056 | 0.1556 | 0.1556 |
| Brugia malayi | flavodoxin family protein | 0.0091 | 0.6792 | 0.6201 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus granulosus | dro:myosuppressin receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | neuropeptide F-like receptor | 0.0113 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0113 | 1 | 1 |
| Brugia malayi | G-protein coupled receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0113 | 1 | 1 |
| Schistosoma mansoni | ancient conserved domain protein 2 (cyclin m2) | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0113 | 1 | 1 |
| Onchocerca volvulus | Dopamine\/Ecdysteroid receptor homolog | 0.0113 | 1 | 0.5 |
| Leishmania major | p450 reductase, putative | 0.0091 | 0.6792 | 1 |
| Echinococcus granulosus | thyrotropin releasing hormone receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | gonadotropin-releasing hormone receptor 2 | 0.0113 | 1 | 1 |
| Trypanosoma cruzi | p450 reductase, putative | 0.0091 | 0.6792 | 0.5 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Echinococcus granulosus | tachykinin peptides receptor 99D | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Loa Loa (eye worm) | 5-hydroxytryptamine 2C receptor | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | G-protein coupled receptor, putative | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0091 | 0.6792 | 0.5 |
| Echinococcus granulosus | somatostatin receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Brugia malayi | gonadotropin-releasing hormone receptor 2 | 0.0113 | 1 | 1 |
| Echinococcus granulosus | neuropeptide receptor A26 | 0.0113 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | G protein coupled receptor 139 | 0.0113 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Trypanosoma brucei | NADPH-cytochrome p450 reductase, putative | 0.0091 | 0.6792 | 0.5 |
| Giardia lamblia | Hypothetical protein | 0.0081 | 0.5236 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0113 | 1 | 1 |
| Schistosoma mansoni | cytochrome P450 reductase | 0.0091 | 0.6792 | 0.6792 |
| Echinococcus granulosus | neuropeptide Y receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | peptide (allatostatin/somatostatin)-like receptor | 0.0113 | 1 | 1 |
| Onchocerca volvulus | Neuropeptide F receptor homolog | 0.0113 | 1 | 0.5 |
| Echinococcus multilocularis | neuropeptide Y receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | somatostatin receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Schistosoma mansoni | amine GPCR | 0.0113 | 1 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0113 | 1 | 1 |
| Brugia malayi | AKH receptor | 0.0113 | 1 | 1 |
| Echinococcus granulosus | NADPH dependent diflavin oxidoreductase 1 | 0.0091 | 0.6792 | 0.6201 |
| Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0091 | 0.6792 | 0.5 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0113 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus granulosus | G protein coupled 5 hydroxytryptamine receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | neuropeptide F-like receptor | 0.0113 | 1 | 1 |
| Echinococcus granulosus | alpha 1A adrenergic receptor | 0.0113 | 1 | 1 |
| Brugia malayi | ORL1-like opioid receptor | 0.0113 | 1 | 1 |
| Brugia malayi | FAD binding domain containing protein | 0.0091 | 0.6792 | 0.6201 |
| Echinococcus multilocularis | thyrotropin releasing hormone receptor | 0.0113 | 1 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0113 | 1 | 1 |
| Echinococcus granulosus | neuropeptides capa receptor | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | dro:myosuppressin receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0113 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | pyroglutamylated rfamide peptide receptor | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Schistosoma mansoni | opsin-like receptor | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Brugia malayi | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0113 | 1 | 1 |
| Brugia malayi | Serotonin receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/somatostatin)-like receptor | 0.0113 | 1 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | biogenic amine (5HT) receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus granulosus | g protein linked acetylcholine receptor gar 2a | 0.0113 | 1 | 1 |
| Trypanosoma brucei | NADPH-dependent diflavin oxidoreductase 1 | 0.0091 | 0.6792 | 0.5 |
| Schistosoma mansoni | histamine-responsive GPCR (AAF21638) | 0.0113 | 1 | 1 |
| Mycobacterium ulcerans | formate dehydrogenase H FdhF | 0.0091 | 0.6792 | 0.5 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus granulosus | neuropeptide FF receptor 2 | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | neuropeptides capa receptor | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | alpha 1A adrenergic receptor | 0.0113 | 1 | 1 |
| Echinococcus granulosus | G protein coupled receptor 139 | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Echinococcus granulosus | neuropeptide receptor | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus granulosus | neuropeptide Y receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus granulosus | growth hormone secretagogue receptor type 1 | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Brugia malayi | Dopamine receptor protein 1 | 0.0113 | 1 | 1 |
| Echinococcus granulosus | g protein linked acetylcholine receptor gar 2a | 0.0113 | 1 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | sex peptide receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | neuropeptides capa receptor | 0.0113 | 1 | 1 |
| Echinococcus granulosus | allatostatin A receptor | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0113 | 1 | 1 |
| Echinococcus granulosus | g-protein coupled receptor | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | serotonin receptor | 0.0113 | 1 | 1 |
| Giardia lamblia | Nitric oxide synthase, inducible | 0.0081 | 0.5236 | 0.5 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Echinococcus multilocularis | allatostatin A receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | histamine h1 receptor | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide s receptor | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | tachykinin peptides receptor 99D | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Brugia malayi | neuropeptide F receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0113 | 1 | 1 |
| Echinococcus granulosus | serotonin receptor | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Echinococcus multilocularis | orexin receptor type 2 | 0.0113 | 1 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0113 | 1 | 1 |
| Echinococcus granulosus | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus granulosus | neuropeptide receptor | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | unidentified vitellogenin-linked transcript protein 6 | 0.0113 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | FAD binding domain-containing protein | 0.0091 | 0.6792 | 0.6201 |
| Trichomonas vaginalis | sulfite reductase, putative | 0.0091 | 0.6792 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Schistosoma mansoni | thyrotropin-releasing hormone receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (octopamine/dopamine) receptor | 0.0113 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0113 | 1 | 1 |
| Brugia malayi | Tachykinin-like peptides receptor 99D | 0.0113 | 1 | 1 |
| Chlamydia trachomatis | sulfite reductase | 0.0056 | 0.1556 | 0.5 |
| Brugia malayi | G protein-coupled receptor F59B2.13 | 0.0113 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 0.31 uM | Inhibitory concentration against Inducible nitric oxide synthase | ChEMBL. | 15501067 |
| IC50 (binding) | = 0.31 uM | Inhibitory concentration against Inducible nitric oxide synthase | ChEMBL. | 15501067 |
| IC50 (binding) | = 0.59 uM | Inhibitory concentration against Neuronal nitric oxide synthase | ChEMBL. | 15501067 |
| IC50 (binding) | = 0.59 uM | Inhibitory concentration against Neuronal nitric oxide synthase | ChEMBL. | 15501067 |
| IC50 (binding) | = 1.1 uM | Inhibitory concentration against Endothelial nitric oxide synthase | ChEMBL. | 15501067 |
| IC50 (binding) | = 1.1 uM | Inhibitory concentration against Endothelial nitric oxide synthase | ChEMBL. | 15501067 |
| Selectivity (binding) | = 2 | Ratio of inhibitory concentration against Endothelial nitric oxide synthase to Neuronal nitric oxide synthase | ChEMBL. | 15501067 |
| Selectivity (binding) | = 3.7 | Ratio of inhibitory concentration against Endothelial nitric oxide synthase to Inducible nitric oxide synthase | ChEMBL. | 15501067 |
Phenotypes
Whole-cell/tissue/organism interactions
We have no records of whole-cell/tissue assays done with this compound
What does this mean?
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- ChEMBL: CHEMBL185833
- PubChem: 18721724
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.