Detailed information for compound 1494011

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 307.371 | Formula: C13H17N5O2S
  • H donors: 3 H acceptors: 2 LogP: 1.68 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=S)N/N=C/1\C(=O)N(c2c1cc(C)cc2)CN(C)C
  • InChi: 1S/C13H17N5O2S/c1-8-4-5-10-9(6-8)11(14-15-13(21)16-20)12(19)18(10)7-17(2)3/h4-6,20H,7H2,1-3H3,(H2,15,16,21)/b14-11-
  • InChiKey: LWXCFBKZXXLUFT-KAMYIIQDSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0167 0.1183 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0422 0.3487 0.4103
Brugia malayi hypothetical protein 0.0422 0.3487 0.3487
Brugia malayi Dopamine receptor 0.0422 0.3487 0.3487
Echinococcus multilocularis rhodopsin orphan GPCR 0.0422 0.3487 1
Echinococcus granulosus g protein coupled receptor 0.0422 0.3487 1
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0167 0.1183 1
Schistosoma mansoni neuropeptide receptor 0.0422 0.3487 0.4103
Mycobacterium ulcerans hypothetical protein 0.037 0.3017 0.295
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.049 0.4096 0.4012
Loa Loa (eye worm) hypothetical protein 0.0049 0.0121 0.0203
Brugia malayi Tachykinin-like peptides receptor 99D 0.0422 0.3487 0.3487
Onchocerca volvulus 0.0422 0.3487 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0422 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Echinococcus multilocularis rhodopsin orphan GPCR 0.0422 0.3487 1
Onchocerca volvulus 0.0422 0.3487 1
Echinococcus granulosus orexin receptor type 2 0.0422 0.3487 1
Brugia malayi Cytochrome P450 family protein 0.0046 0.0095 0.0095
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0422 0.3487 0.3487
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0422 0.3487 0.4103
Loa Loa (eye worm) cytochrome P450 family protein 0.0105 0.0625 0.1055
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Echinococcus multilocularis neuropeptide Y receptor 0.0422 0.3487 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0121 0.0121
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0422 0.3487 0.4103
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0422 0.3487 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.1116 0.3199
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0422 0.3487 0.4103
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0422 0.3487 1
Echinococcus multilocularis g-protein coupled receptor 0.0422 0.3487 1
Echinococcus multilocularis muscleblind protein 0.0145 0.0985 0.2824
Echinococcus granulosus rhodopsin orphan GPCR 0.0422 0.3487 1
Echinococcus granulosus neuropeptides capa receptor 0.0422 0.3487 1
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Brugia malayi hypothetical protein 0.0422 0.3487 0.3487
Echinococcus granulosus G protein coupled receptor 139 0.0422 0.3487 1
Onchocerca volvulus 0.0422 0.3487 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0422 0.3487 1
Echinococcus multilocularis neuropeptide receptor A26 0.0422 0.3487 1
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0656 0.5586 0.5544
Schistosoma mansoni alpha-glucosidase 0.0137 0.0916 0.1078
Mycobacterium tuberculosis Probable oxidoreductase 0.0129 0.0843 0.0713
Schistosoma mansoni amine GPCR 0.0422 0.3487 0.4103
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0129 0.0843 0.0126
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0121 0.0121
Trypanosoma cruzi cytochrome P450, putative 0.0046 0.0095 0.0315
Echinococcus multilocularis g protein coupled receptor 0.0422 0.3487 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0422 0.3487 1
Echinococcus granulosus geminin 0.0189 0.1385 0.3971
Loa Loa (eye worm) hypothetical protein 0.0145 0.0985 0.1661
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.1146 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0422 0.3487 0.4103
Giardia lamblia Pyruvate-flavodoxin oxidoreductase 0.0167 0.1183 0.5
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Brugia malayi G-protein coupled receptor 0.0422 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Brugia malayi Dopamine receptor protein 2 0.0422 0.3487 0.3487
Echinococcus multilocularis geminin 0.0189 0.1385 0.3971
Echinococcus multilocularis neuropeptide FF receptor 2 0.0422 0.3487 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.1116 0.1882
Schistosoma mansoni alpha-1 adrenergic receptor 0.0422 0.3487 0.4103
Brugia malayi putative neuropeptide receptor NPR1 0.0422 0.3487 0.3487
Brugia malayi Cytochrome P450 family protein 0.0046 0.0095 0.0095
Echinococcus granulosus rhodopsin orphan GPCR 0.0422 0.3487 1
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.037 0.3017 1
Schistosoma mansoni alpha-glucosidase 0.0137 0.0916 0.1078
Brugia malayi hypothetical protein 0.0422 0.3487 0.3487
Loa Loa (eye worm) G-protein coupled receptor 0.0422 0.3487 0.5881
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0422 0.3487 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.1116 0.3199
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Schistosoma mansoni hypothetical protein 0.0189 0.1385 0.1629
Schistosoma mansoni hypothetical protein 0.0422 0.3487 0.4103
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Echinococcus multilocularis rhodopsin orphan GPCR 0.0422 0.3487 1
Onchocerca volvulus 0.0422 0.3487 1
Schistosoma mansoni biogenic amine receptor 0.0422 0.3487 0.4103
Schistosoma mansoni amine GPCR 0.0422 0.3487 0.4103
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0422 0.3487 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.0726 0.0595
Schistosoma mansoni acetolactate synthase 0.0979 0.8499 1
Echinococcus granulosus serotonin receptor 0.0422 0.3487 1
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Echinococcus multilocularis serotonin receptor 0.0422 0.3487 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0422 0.3487 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0422 0.3487 1
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.0657 0.5596 0.9438
Onchocerca volvulus 0.0422 0.3487 1
Leishmania major cytochrome p450-like protein 0.0046 0.0095 0.017
Echinococcus granulosus neuropeptide FF receptor 2 0.0422 0.3487 1
Brugia malayi follicle stimulating hormone receptor 0.0422 0.3487 0.3487
Echinococcus granulosus tm gpcr rhodopsin 0.0422 0.3487 1
Schistosoma mansoni acetolactate synthase 0.0979 0.8499 1
Onchocerca volvulus 0.0422 0.3487 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0422 0.3487 0.5881
Onchocerca volvulus 0.0422 0.3487 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0422 0.3487 1
Brugia malayi G protein-coupled receptor 0.0422 0.3487 0.3487
Loa Loa (eye worm) cytochrome P450 family protein 0.0046 0.0095 0.016
Mycobacterium tuberculosis Probable reductase 0.0116 0.0726 0.0595
Echinococcus multilocularis G-protein coupled receptor, putative 0.0422 0.3487 1
Echinococcus granulosus g protein coupled receptor 0.0422 0.3487 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.0985 0.1661
Echinococcus granulosus neuropeptide Y receptor 0.0422 0.3487 1
Brugia malayi Muscleblind-like protein 0.0145 0.0985 0.0985
Schistosoma mansoni histamine h1 receptor 0.0422 0.3487 0.4103
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0422 0.3487 0.5881
Leishmania major trypanothione reductase 0.0051 0.014 0.025
Mycobacterium tuberculosis Probable oxidoreductase (beta subunit) 0.0167 0.1183 0.1058
Echinococcus multilocularis orexin receptor type 2 0.0422 0.3487 1
Loa Loa (eye worm) G-protein coupled receptor 0.0422 0.3487 0.5881
Mycobacterium ulcerans 2-oxoglutarate ferredoxin oxidoreductase subunit beta 0.0167 0.1183 0.1098
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0422 0.3487 0.5881
Onchocerca volvulus 0.0422 0.3487 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0422 0.3487 0.5881
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Brugia malayi hypothetical protein 0.0422 0.3487 0.3487
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0422 0.3487 1
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0656 0.5586 0.5544
Brugia malayi RE15519p 0.0422 0.3487 0.3487
Brugia malayi putative neuropeptide receptor 0.0422 0.3487 0.3487
Schistosoma mansoni neuropeptide F-like receptor 0.0422 0.3487 0.4103
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.037 0.3017 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0422 0.3487 0.3487
Echinococcus multilocularis rhodopsin orphan GPCR 0.0422 0.3487 1
Treponema pallidum pyruvate oxidoreductase 0.0167 0.1183 0.5
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.1146 1 1
Onchocerca volvulus 0.0422 0.3487 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0422 0.3487 0.4103
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0422 0.3487 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0422 0.3487 1
Brugia malayi ORL1-like opioid receptor 0.0422 0.3487 0.3487
Onchocerca volvulus 0.0422 0.3487 1
Echinococcus granulosus somatostatin receptor 0.0422 0.3487 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0422 0.3487 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0422 0.3487 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0422 0.3487 1
Echinococcus multilocularis serotonin receptor 0.0422 0.3487 1
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Echinococcus granulosus allatostatin A receptor 0.0422 0.3487 1
Echinococcus granulosus neuropeptides capa receptor 0.0422 0.3487 1
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Loa Loa (eye worm) TYRA-2 protein 0.0422 0.3487 0.5881
Brugia malayi Serotonin receptor 0.0422 0.3487 0.3487
Schistosoma mansoni amine GPCR 0.0422 0.3487 0.4103
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0422 0.3487 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0422 0.3487 0.4103
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Echinococcus granulosus biogenic amine 5HT receptor 0.0422 0.3487 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0422 0.3487 1
Echinococcus granulosus neuropeptide Y receptor 0.0422 0.3487 1
Brugia malayi hypothetical protein 0.0422 0.3487 0.3487
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.1146 1 1
Loa Loa (eye worm) ILVBL protein 0.0694 0.593 1
Schistosoma mansoni hypothetical protein 0.0422 0.3487 0.4103
Echinococcus granulosus dro:myosuppressin receptor 0.0422 0.3487 1
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Loa Loa (eye worm) cytochrome P450 family protein 0.0046 0.0095 0.016
Echinococcus multilocularis sex peptide receptor 0.0422 0.3487 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.0726 0.0595
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0422 0.3487 0.4103
Mycobacterium ulcerans hypothetical protein 0.1146 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0422 0.3487 1
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.037 0.3017 1
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Echinococcus granulosus rhodopsin orphan GPCR 0.0422 0.3487 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0422 0.3487 1
Loa Loa (eye worm) glutathione reductase 0.0051 0.014 0.0235
Trypanosoma cruzi cytochrome P450, putative 0.0046 0.0095 0.0315
Echinococcus multilocularis g protein coupled receptor 0.0422 0.3487 1
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0422 0.3487 0.4103
Plasmodium falciparum acyl-CoA synthetase 0.0656 0.5586 1
Trypanosoma brucei trypanothione reductase 0.0051 0.014 0.0463
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Echinococcus granulosus rhodopsin orphan GPCR 0.0422 0.3487 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0422 0.3487 1
Echinococcus granulosus g-protein coupled receptor 0.0422 0.3487 1
Schistosoma mansoni opsin-like receptor 0.0422 0.3487 0.4103
Echinococcus granulosus neuropeptide receptor 0.0422 0.3487 1
Echinococcus granulosus neuropeptide receptor 0.0422 0.3487 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0422 0.3487 0.4103
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Trypanosoma brucei cytochrome P450, putative 0.0046 0.0095 0.0315
Schistosoma mansoni opsin-like receptor 0.0422 0.3487 0.4103
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.0726 0.0595
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0422 0.3487 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0422 0.3487 0.4103
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Entamoeba histolytica pyruvate:ferredoxin oxidoreductase 0.0167 0.1183 1
Echinococcus multilocularis neuropeptide s receptor 0.0422 0.3487 1
Schistosoma mansoni myosin xvIII 0.0422 0.3487 0.4103
Echinococcus multilocularis neuropeptide receptor 0.0422 0.3487 1
Brugia malayi sulfakinin receptor protein 0.0422 0.3487 0.3487
Brugia malayi GnHR receptor homolog 0.0422 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Schistosoma mansoni growth hormone secretagogue receptor 0.0422 0.3487 0.4103
Schistosoma mansoni amine GPCR 0.0422 0.3487 0.4103
Echinococcus multilocularis muscleblind protein 1 0.0145 0.0985 0.2824
Mycobacterium ulcerans 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase 0.0204 0.1516 0.1434
Brugia malayi neuropeptide F receptor 0.0422 0.3487 0.3487
Leishmania major phosphonopyruvate decarboxylase-like protein 0.037 0.3017 0.54
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0422 0.3487 1
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.014 0.0463
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.1146 1 1
Brugia malayi glutathione reductase 0.0051 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Onchocerca volvulus 0.0422 0.3487 1
Brugia malayi Cytochrome P450 family protein 0.0105 0.0625 0.0625
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0422 0.3487 0.4103
Loa Loa (eye worm) neuropeptide F receptor 0.0422 0.3487 0.5881
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0422 0.3487 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0422 0.3487 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0422 0.3487 0.4103
Schistosoma mansoni neuropeptide receptor 0.0422 0.3487 0.4103
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Echinococcus granulosus neuropeptide receptor A26 0.0422 0.3487 1
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Schistosoma mansoni biogenic amine receptor 0.0422 0.3487 0.4103
Schistosoma mansoni opsin-like receptor 0.0422 0.3487 0.4103
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0422 0.3487 0.4103
Echinococcus multilocularis g protein coupled receptor 0.0422 0.3487 1
Echinococcus multilocularis neuropeptides capa receptor 0.0422 0.3487 1
Brugia malayi neuropeptide F receptor 0.0422 0.3487 0.3487
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0422 0.3487 0.3487
Brugia malayi hypothetical protein 0.0422 0.3487 0.3487
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0422 0.3487 0.5881
Echinococcus granulosus tachykinin peptides receptor 99D 0.0422 0.3487 1
Schistosoma mansoni neuropeptide F-like receptor 0.0422 0.3487 0.4103
Mycobacterium ulcerans acetolactate synthase 0.0656 0.5586 0.5544
Brugia malayi AKH receptor 0.0422 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0167 0.1183 1
Echinococcus multilocularis allatostatin A receptor 0.0422 0.3487 1
Echinococcus granulosus tm gpcr rhodopsin 0.0422 0.3487 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.0726 0.0595
Brugia malayi Dopamine receptor protein 1 0.0422 0.3487 0.3487
Plasmodium vivax acyl-CoA synthetase, putative 0.0656 0.5586 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0422 0.3487 0.4103
Schistosoma mansoni neuropeptide receptor 0.0422 0.3487 0.4103
Echinococcus granulosus peptide allatostatin:somatostatin 0.0422 0.3487 1
Loa Loa (eye worm) CYP4Cod1 0.0046 0.0095 0.016
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0167 0.1183 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0422 0.3487 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0422 0.3487 1
Onchocerca volvulus 0.0422 0.3487 1
Toxoplasma gondii thioredoxin reductase 0.0051 0.014 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0422 0.3487 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0422 0.3487 0.4103
Schistosoma mansoni adenoreceptor 0.0422 0.3487 0.4103
Echinococcus multilocularis fmrfamide receptor 0.0422 0.3487 1
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.037 0.3017 1
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0167 0.1183 1
Brugia malayi hypothetical protein 0.0422 0.3487 0.3487
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0422 0.3487 0.4103
Echinococcus granulosus fmrfamide receptor 0.0422 0.3487 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0121 0.0203
Loa Loa (eye worm) neuropeptide F receptor 0.0422 0.3487 0.5881
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.1116 0.3199
Echinococcus multilocularis neuropeptides capa receptor 0.0422 0.3487 1
Brugia malayi larval opioid receptor 0.0422 0.3487 0.3487
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0129 0.0843 0.0713
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0422 0.3487 0.4103
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0422 0.3487 0.4103
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0422 0.3487 1
Brugia malayi hypothetical protein 0.0422 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Brugia malayi hypothetical protein 0.0422 0.3487 0.3487
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0656 0.5586 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0129 0.0843 0.0713
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.014 0.04
Schistosoma mansoni biogenic amine receptor 0.0422 0.3487 0.4103
Mycobacterium leprae PROBABLE BIFUNCTIONAL MENAQUINONE BIOSYNTHESIS PROTEIN MEND : 2-SUCCINYL-6-HYDROXY-2,4-CYCLOHEXADIENE-1-CARBOXYLATE SYNTHASE (SH 0.0204 0.1516 0.0852
Schistosoma mansoni biogenic amine (5HT) receptor 0.0422 0.3487 0.4103
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0422 0.3487 0.4103
Brugia malayi Serotonin receptor 0.0422 0.3487 0.3487
Echinococcus granulosus rhodopsin orphan GPCR 0.0422 0.3487 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0422 0.3487 0.3487
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0422 0.3487 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0422 0.3487 0.4103
Onchocerca volvulus 0.0422 0.3487 1
Onchocerca volvulus 0.0422 0.3487 1
Echinococcus multilocularis fmrfamide receptor 0.0422 0.3487 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0422 0.3487 1
Brugia malayi hypothetical protein 0.0422 0.3487 0.3487
Brugia malayi G protein-coupled receptor F59B2.13 0.0422 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.014 0.0235
Echinococcus granulosus neuropeptide s receptor 0.0422 0.3487 1
Echinococcus granulosus hypothetical protein 0.0422 0.3487 1
Brugia malayi G-protein coupled receptor 0.0422 0.3487 0.3487
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0422 0.3487 0.4103
Onchocerca volvulus 0.0422 0.3487 1
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Brugia malayi Thioredoxin reductase 0.0051 0.014 0.014
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.0726 0.0595
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Schistosoma mansoni amine GPCR 0.0422 0.3487 0.4103
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0422 0.3487 0.4103
Schistosoma mansoni neuropeptide receptor 0.0422 0.3487 0.4103
Echinococcus granulosus sex peptide receptor 0.0422 0.3487 1
Schistosoma mansoni hypothetical protein 0.0189 0.1385 0.1629
Echinococcus multilocularis somatostatin receptor 0.0422 0.3487 1
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.1146 1 1
Echinococcus granulosus g protein coupled receptor 0.0422 0.3487 1
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Echinococcus multilocularis neuropeptide receptor 0.0422 0.3487 1
Echinococcus multilocularis neuropeptide Y receptor 0.0422 0.3487 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.1116 0.1116
Schistosoma mansoni hypothetical protein 0.0422 0.3487 0.4103
Echinococcus granulosus alpha 1A adrenergic receptor 0.0422 0.3487 1
Brugia malayi Melatonin receptor type 1A 0.0422 0.3487 0.3487
Echinococcus multilocularis rhodopsin orphan GPCR 0.0422 0.3487 1
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.1146 1 1
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Echinococcus multilocularis dro:myosuppressin receptor 0.0422 0.3487 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.014 0.04
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0422 0.3487 1
Onchocerca volvulus 0.0422 0.3487 1
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0167 0.1183 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0422 0.3487 0.4103
Echinococcus granulosus tm gpcr rhodopsin 0.0422 0.3487 1
Loa Loa (eye worm) hypothetical protein 0.0422 0.3487 0.5881
Schistosoma mansoni hypothetical protein 0.0422 0.3487 0.4103
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0422 0.3487 0.5881
Onchocerca volvulus 0.0422 0.3487 1
Echinococcus granulosus muscleblind protein 0.0145 0.0985 0.2824

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) = 650.68 uM Cytotoxicity against human MT4 cells after 5 days by spectrophotometry ChEMBL. 21093117
MIC (functional) = 81.34 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Ra by agar dilution method ChEMBL. 21093117

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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