Detailed information for compound 415384
Basic information
Technical information
- TDR Targets ID: 415384
- Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-benzyl-4- (2-imidazol-1-yl-6-methylpyrimidin-4-yl)piper azin-2-yl]acetamide
- MW: 525.602 | Formula: C29H31N7O3
-
H donors: 1
H acceptors: 4
LogP: 3.07
Rotable bonds: 9
Rule of 5 violations (Lipinski): 2 - SMILES: O=C(CC1CN(CCN1Cc1ccccc1)c1cc(C)nc(n1)n1cncc1)NCc1ccc2c(c1)OCO2
- InChi: 1S/C29H31N7O3/c1-21-13-27(33-29(32-21)36-10-9-30-19-36)35-12-11-34(17-22-5-3-2-4-6-22)24(18-35)15-28(37)31-16-23-7-8-25-26(14-23)39-20-38-25/h2-10,13-14,19,24H,11-12,15-18,20H2,1H3,(H,31,37)
- InChiKey: DVUZLCFDNOGYKM-UHFFFAOYSA-N
Network
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Synonyms
- N-(1,3-benzodioxol-5-ylmethyl)-2-[1-benzyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-2-yl]acetamide
- N-(1,3-benzodioxol-5-ylmethyl)-2-[1-benzyl-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperazinyl]acetamide
- N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(phenylmethyl)piperazin-2-yl]ethanamide
- 2-[1-benzyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-2-yl]-N-piperonyl-acetamide
- N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-(phenylmethyl)piperazin-2-yl]acetamide
- N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(phenylmethyl)piperazin-2-yl]acetamide
- N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-(phenylmethyl)-2-piperazinyl]acetamide
- N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(benzyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-2-yl]acetamide
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | nitric oxide synthase 2, inducible | 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 | somatostatin receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/neurokinin-3)-like receptor | 0.0033 | 1 | 1 |
| Brugia malayi | Dopamine receptor protein 1 | 0.0033 | 1 | 1 |
| Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0032 | 0.9639 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus granulosus | peptide allatostatin:somatostatin | 0.0033 | 1 | 1 |
| Echinococcus granulosus | neuropeptide Y receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide Y receptor | 0.0033 | 1 | 1 |
| Brugia malayi | Dopamine receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0033 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Echinococcus granulosus | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus granulosus | g-protein coupled receptor | 0.0033 | 1 | 1 |
| Brugia malayi | flavodoxin family protein | 0.0032 | 0.9639 | 0.9537 |
| Echinococcus granulosus | neuropeptides capa receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | muscarinic acetylcholine (GAR) receptor | 0.0033 | 1 | 1 |
| Brugia malayi | putative neuropeptide receptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | G protein coupled receptor 139 | 0.0033 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Schistosoma mansoni | amine GPCR | 0.0033 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | g protein linked acetylcholine receptor gar 2a | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide s receptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | myosin xvIII | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.9639 | 0.9537 |
| Echinococcus granulosus | neuropeptides capa receptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | neuropeptide s receptor | 0.0033 | 1 | 1 |
| Brugia malayi | Melatonin receptor type 1A | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | 5-hydroxytryptamine 2C receptor | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | growth hormone secretagogue receptor type 1 | 0.0033 | 1 | 1 |
| Echinococcus granulosus | G protein coupled 5 hydroxytryptamine receptor | 0.0033 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Echinococcus granulosus | neuropeptide receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | peptide (allatostatin)-like receptor | 0.0033 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Leishmania major | NADPH-cytochrome p450 reductase-like protein | 0.0032 | 0.9639 | 1 |
| Trypanosoma brucei | NADPH-cytochrome p450 reductase, putative | 0.0032 | 0.9639 | 0.5 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Plasmodium vivax | NADPH-cytochrome p450 reductase, putative | 0.0032 | 0.9639 | 1 |
| Brugia malayi | neuropeptide F receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Brugia malayi | Dopamine receptor protein 1, putative (partial) | 0.0033 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Brugia malayi | sulfakinin receptor protein | 0.0033 | 1 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | gonadotropin-releasing hormone receptor 2 | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | neuropeptide F receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0033 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0033 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | pyroglutamylated rfamide peptide receptor | 0.0033 | 1 | 1 |
| Trypanosoma brucei | NADPH-dependent diflavin oxidoreductase 1 | 0.0032 | 0.9639 | 0.5 |
| Echinococcus multilocularis | fmrfamide receptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | fmrfamide receptor | 0.0033 | 1 | 1 |
| Brugia malayi | Dopamine receptor protein 2 | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0033 | 1 | 1 |
| Brugia malayi | Tachykinin-like peptides receptor 99D | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | FAD binding domain-containing protein | 0.0032 | 0.9639 | 0.9537 |
| Echinococcus multilocularis | g protein linked acetylcholine receptor gar 2a | 0.0033 | 1 | 1 |
| Schistosoma mansoni | adenoreceptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | allatostatin A receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | alpha-1 adrenergic receptor | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | histamine h1 receptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | growth hormone secretagogue receptor type 1 | 0.0033 | 1 | 1 |
| Brugia malayi | G-protein coupled receptor | 0.0033 | 1 | 1 |
| Trypanosoma cruzi | NADPH-dependent FMN/FAD containing oxidoreductase, putative | 0.0032 | 0.9639 | 0.5 |
| Echinococcus granulosus | neuropeptide Y receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | NADPH cytochrome P450 reductase | 0.0032 | 0.9639 | 0.9537 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | G-protein coupled receptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | NADPH cytochrome P450 reductase | 0.0032 | 0.9639 | 0.9537 |
| Schistosoma mansoni | opsin-like receptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | g protein linked acetylcholine receptor gar 2a | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Brugia malayi | G-protein-linked acetylcholine receptor protein 2, putative | 0.0033 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | orexin receptor type 2 | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0033 | 1 | 1 |
| Brugia malayi | Serotonin receptor | 0.0033 | 1 | 1 |
| Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0032 | 0.9639 | 0.5 |
| Giardia lamblia | Nitric oxide synthase, inducible | 0.0029 | 0.7431 | 0.5 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0033 | 1 | 1 |
| Brugia malayi | follicle stimulating hormone receptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | neuropeptide receptor A26 | 0.0033 | 1 | 1 |
| Brugia malayi | RE15519p | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | tachykinin peptides receptor 99D | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0033 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0033 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0033 | 1 | 1 |
| Giardia lamblia | Hypothetical protein | 0.0029 | 0.7431 | 0.5 |
| Echinococcus multilocularis | allatostatin A receptor | 0.0033 | 1 | 1 |
| Brugia malayi | G-protein coupled receptor | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | G protein coupled receptor 139 | 0.0033 | 1 | 1 |
| Schistosoma mansoni | neuropeptide F-like receptor | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | serotonin receptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | G-protein coupled receptor, putative | 0.0033 | 1 | 1 |
| Onchocerca volvulus | Dopamine\/Ecdysteroid receptor homolog | 0.0033 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Brugia malayi | G protein-coupled receptor | 0.0033 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0033 | 1 | 1 |
| Brugia malayi | AKH receptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0033 | 1 | 1 |
| Brugia malayi | ORL1-like opioid receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0033 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0033 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Brugia malayi | hypothetical protein | 0.0033 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Schistosoma mansoni | neuropeptide F-like receptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor A26 | 0.0033 | 1 | 1 |
| Brugia malayi | FAD binding domain containing protein | 0.0032 | 0.9639 | 0.9537 |
| Echinococcus multilocularis | sex peptide receptor | 0.0033 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0033 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0033 | 1 | 1 |
| Schistosoma mansoni | neuropeptide f receptor 76f | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus granulosus | neuropeptide receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Brugia malayi | G protein-coupled receptor F59B2.13 | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | alpha 1A adrenergic receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | thyrotropin releasing hormone receptor | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | neuropeptides capa receptor | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0033 | 1 | 1 |
| Schistosoma mansoni | growth hormone secretagogue receptor | 0.0033 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus granulosus | serotonin receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | G-protein coupled receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Brugia malayi | Unidentified vitellogenin-linked transcript protein 6, putative | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide FF receptor 2 | 0.0033 | 1 | 1 |
| Echinococcus granulosus | 7TM GPCR rhodopsin | 0.0033 | 1 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | dro:myosuppressin receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | peptide (allatostatin/somatostatin)-like receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0033 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/somatostatin)-like receptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | tachykinin peptides receptor 99D | 0.0033 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus granulosus | g protein linked acetylcholine receptor gar 2a | 0.0033 | 1 | 1 |
| Schistosoma mansoni | cytochrome P450 reductase | 0.0032 | 0.9639 | 0.9639 |
| Echinococcus granulosus | NADPH dependent diflavin oxidoreductase 1 | 0.0032 | 0.9639 | 0.9537 |
| Schistosoma mansoni | amine GPCR | 0.0033 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0033 | 1 | 1 |
| Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0032 | 0.9639 | 0.5 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0033 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0033 | 1 | 1 |
| Mycobacterium ulcerans | formate dehydrogenase H FdhF | 0.0032 | 0.9639 | 0.5 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0033 | 1 | 1 |
| Schistosoma mansoni | ancient conserved domain protein 2 (cyclin m2) | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | biogenic amine (5HT) receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | melatonin receptor type 1A | 0.0033 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0033 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Brugia malayi | putative neuropeptide receptor NPR1 | 0.0033 | 1 | 1 |
| Schistosoma mansoni | histamine-responsive GPCR (AAF21638) | 0.0033 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Brugia malayi | larval opioid receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0033 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | TYRA-2 protein | 0.0033 | 1 | 1 |
| Brugia malayi | GnHR receptor homolog | 0.0033 | 1 | 1 |
| Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0032 | 0.9639 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | fmrfamide receptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | orexin receptor type 2 | 0.0033 | 1 | 1 |
| Brugia malayi | Serotonin/octopamine receptor family protein 7 | 0.0033 | 1 | 1 |
| Leishmania major | p450 reductase, putative | 0.0032 | 0.9639 | 1 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus granulosus | 7tm_1 domain containing protein | 0.0033 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide Y receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (octopamine/dopamine) receptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | alpha 1A adrenergic receptor | 0.0033 | 1 | 1 |
| Brugia malayi | gonadotropin-releasing hormone receptor 2 | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus granulosus | thyrotropin releasing hormone receptor | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor | 0.0033 | 1 | 1 |
| Chlamydia trachomatis | sulfite reductase | 0.002 | 0.2208 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus granulosus | neuropeptide FF receptor 2 | 0.0033 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Echinococcus multilocularis | G protein coupled 5 hydroxytryptamine receptor | 0.0033 | 1 | 1 |
| Trichomonas vaginalis | sulfite reductase, putative | 0.0032 | 0.9639 | 1 |
| Echinococcus multilocularis | g-protein coupled receptor | 0.0033 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0033 | 1 | 1 |
| Plasmodium falciparum | nitric oxide synthase, putative | 0.0032 | 0.9639 | 0.5 |
| Echinococcus granulosus | pyroglutamylated rfamide peptide receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | thyrotropin-releasing hormone receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | unidentified vitellogenin-linked transcript protein 6 | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | neuropeptide F receptor | 0.0033 | 1 | 1 |
| Trypanosoma cruzi | p450 reductase, putative | 0.0032 | 0.9639 | 0.5 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0033 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/somatostatin)-like receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | follicle stimulating hormone receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0033 | 1 | 1 |
| Schistosoma mansoni | 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase | 0.002 | 0.2208 | 0.2208 |
| Schistosoma mansoni | amine GPCR | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | NADPH dependent diflavin oxidoreductase 1 | 0.0032 | 0.9639 | 0.9537 |
| Schistosoma mansoni | hypothetical protein | 0.0033 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | peptide (allatostatin:somatostatin) | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | 7TM GPCR, rhodopsin | 0.0033 | 1 | 1 |
| Brugia malayi | neuropeptide F receptor | 0.0033 | 1 | 1 |
| Onchocerca volvulus | Neuropeptide F receptor homolog | 0.0033 | 1 | 0.5 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Brugia malayi | hypothetical protein | 0.0033 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Brugia malayi | Serotonin receptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | somatostatin receptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | dro:myosuppressin receptor | 0.0033 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | serotonin receptor | 0.0033 | 1 | 1 |
| Echinococcus granulosus | sex peptide receptor | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | G-protein-linked acetylcholine receptor protein 2 | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0033 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | neuropeptides capa receptor | 0.0033 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (binding) | Activity against rat cerebellum iNOS upto 1 uM | ChEMBL. | 17315988 | |
| Activity (binding) | 0 | Activity against rat cerebellum iNOS upto 1 uM | ChEMBL. | 17315988 |
| IC50 (binding) | = 25 nM | Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation | ChEMBL. | 17315988 |
| IC50 (binding) | = 25 nM | Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation | ChEMBL. | 17315988 |
| IC50 (binding) | = 160 nM | Inhibition of vaccinia virus system-induced human NOS expressed in BSC1 cells | ChEMBL. | 17315988 |
| Ratio IC50 (binding) | = 130 | Selectivity ratio, IC50 for bcNOS/IC50 for iNOS using vaccinia virus-induced system in BSC1 cells | ChEMBL. | 17315988 |
| Ratio IC50 (binding) | = 350 | Selectivity ratio, IC50 for ecNOS/IC50 for iNOS using vaccinia virus-induced system in BSC1 cells | ChEMBL. | 17315988 |
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: CHEMBL220123
- PubChem: 16115609
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.