Detailed information for compound 1826682

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 391.509 | Formula: C23H29N5O
  • H donors: 1 H acceptors: 2 LogP: 4.32 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(ccc1Nc1ncc2c(n1)n(cc2)C1CCCCC1)N1CCOCC1
  • InChi: 1S/C23H29N5O/c1-17-15-20(27-11-13-29-14-12-27)7-8-21(17)25-23-24-16-18-9-10-28(22(18)26-23)19-5-3-2-4-6-19/h7-10,15-16,19H,2-6,11-14H2,1H3,(H,24,25,26)
  • InChiKey: CVJSDHYWXPUABU-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TTK protein kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Dual specificity protein kinase TTK homolog Get druggable targets OG5_129339 All targets in OG5_129339
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_129339 All targets in OG5_129339
Giardia lamblia Kinase, TTK Get druggable targets OG5_129339 All targets in OG5_129339
Schistosoma japonicum ko:K05501 TetR/AcrR family transcriptional regulator, putative Get druggable targets OG5_129339 All targets in OG5_129339
Loa Loa (eye worm) TTK protein kinase Get druggable targets OG5_129339 All targets in OG5_129339
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_129339 All targets in OG5_129339
Echinococcus multilocularis dual specificity serine:threonine tyrosine Get druggable targets OG5_129339 All targets in OG5_129339
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase Get druggable targets OG5_129339 All targets in OG5_129339
Echinococcus granulosus dual specificity serine:threonine tyrosine Get druggable targets OG5_129339 All targets in OG5_129339
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129339 All targets in OG5_129339
Candida albicans protein threonine/tyrosine kinase Get druggable targets OG5_129339 All targets in OG5_129339

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) glutathione reductase 0.0046 0.0229 0.0813
Echinococcus multilocularis rhodopsin orphan GPCR 0.0265 0.1565 0.1565
Loa Loa (eye worm) G-protein coupled receptor 0.0265 0.1565 1
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0067 0.0359 0.0359
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0136 0.0781 0.1825
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0229 0.0813
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0067 0.0359 0.0526
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Brugia malayi ORL1-like opioid receptor 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Onchocerca volvulus 0.0265 0.1565 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.04 0.0668
Echinococcus granulosus hypothetical protein 0.0265 0.1565 0.3658
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0047 0.0078
Brugia malayi RE15519p 0.0265 0.1565 1
Plasmodium falciparum thioredoxin reductase 0.0046 0.0229 0.0307
Schistosoma mansoni biogenic amine receptor 0.0265 0.1565 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0265 0.1565 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.0201 0.0471
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0586 0.0979
Echinococcus multilocularis g protein coupled receptor 0.0265 0.1565 0.1565
Brugia malayi Thioredoxin reductase 0.0046 0.0229 0.1346
Echinococcus multilocularis serotonin receptor 0.0265 0.1565 0.1565
Echinococcus multilocularis geminin 0.0179 0.1042 0.1042
Onchocerca volvulus 0.0231 0.1362 0.8586
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0067 0.0359 0.0599
Echinococcus multilocularis neuropeptides capa receptor 0.0265 0.1565 0.1565
Echinococcus granulosus neuropeptide receptor A26 0.0709 0.4279 1
Mycobacterium ulcerans short chain dehydrogenase 0.0067 0.0359 0.0599
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0067 0.0359 0.0599
Echinococcus granulosus 7tm_1 domain containing protein 0.0265 0.1565 0.3658
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0265 0.1565 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0265 0.1565 0.3658
Schistosoma mansoni opsin-like receptor 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0067 0.0359 0.0839
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0265 0.1565 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0265 0.1565 1
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0087 0.0482 0.0482
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0067 0.0359 0.0599
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.0201 0.026
Brugia malayi GnHR receptor homolog 0.0265 0.1565 1
Onchocerca volvulus 0.0074 0.04 0.1892
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0657 0.1097
Brugia malayi neuropeptide F receptor 0.0265 0.1565 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0265 0.1565 0.1565
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.04 0.0935
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Mycobacterium tuberculosis Conserved protein 0.0074 0.04 0.0668
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0989 0.599 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0128 0.0817
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0047 0.0166
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.04 0.0668
Onchocerca volvulus 0.0265 0.1565 1
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0067 0.0359 0.0599
Schistosoma mansoni opsin-like receptor 0.0265 0.1565 1
Plasmodium vivax hypothetical protein, conserved 0.0074 0.04 0.0594
Brugia malayi Serotonin receptor 0.0265 0.1565 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0067 0.0359 0.0599
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Echinococcus granulosus geminin 0.0179 0.1042 0.2434
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0074 0.04 0.0668
Brugia malayi G-protein coupled receptor 0.0265 0.1565 1
Schistosoma mansoni dihydropteridine reductase 0.0067 0.0359 0.2294
Onchocerca volvulus 0.0074 0.04 0.1892
Echinococcus granulosus 7TM GPCR rhodopsin 0.0265 0.1565 0.3658
Trypanosoma brucei pteridine reductase 1 0.0067 0.0359 0.8844
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0265 0.1565 1
Mycobacterium ulcerans short chain dehydrogenase 0.0067 0.0359 0.0599
Brugia malayi beta-lactamase family protein 0.0074 0.04 0.2453
Echinococcus granulosus g-protein coupled receptor 0.0265 0.1565 0.3658
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0111 0.1813
Echinococcus granulosus orexin receptor type 2 0.0265 0.1565 0.3658
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.04 0.0668
Trichomonas vaginalis CAMK family protein kinase 0.0087 0.0482 0.0804
Chlamydia trachomatis oxoacy-ACP reductase 0.0067 0.0359 0.0526
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Loa Loa (eye worm) TTK protein kinase 0.0087 0.0482 0.2552
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0047 0.0078
Echinococcus granulosus neuropeptide FF receptor 2 0.0265 0.1565 0.3658
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0128 0.0299
Echinococcus granulosus rhodopsin orphan GPCR 0.0265 0.1565 0.3658
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0067 0.0359 0.0599
Echinococcus multilocularis neuropeptide s receptor 0.0709 0.4279 0.4279
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0265 0.1565 1
Schistosoma mansoni neuropeptide receptor 0.0265 0.1565 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0989 0.599 1
Schistosoma mansoni neuropeptide receptor 0.0265 0.1565 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0047 0.0078
Brugia malayi hypothetical protein 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0067 0.0359 0.8844
Mycobacterium ulcerans short chain dehydrogenase 0.0067 0.0359 0.0599
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0111 0.0108
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0111 0.0108
Onchocerca volvulus 0.0067 0.0359 0.1608
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0229 0.516
Brugia malayi glutathione reductase 0.0046 0.0229 0.1346
Mycobacterium ulcerans short chain dehydrogenase 0.0067 0.0359 0.0599
Echinococcus multilocularis dro:myosuppressin receptor 0.0265 0.1565 0.1565
Schistosoma mansoni myosin xvIII 0.0265 0.1565 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0265 0.1565 1
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0067 0.0359 0.0599
Mycobacterium tuberculosis Conserved protein 0.0074 0.04 0.0668
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0265 0.1565 0.1565
Echinococcus multilocularis orexin receptor type 2 0.0265 0.1565 0.1565
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0265 0.1565 0.1565
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0067 0.0359 0.0599
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0067 0.0359 0.0599
Schistosoma mansoni neuropeptide receptor 0.0265 0.1565 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.1191 0.7425
Loa Loa (eye worm) hypothetical protein 0.0074 0.04 0.1988
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0047 0.0078
Brugia malayi G protein-coupled receptor 0.0265 0.1565 1
Echinococcus granulosus tm gpcr rhodopsin 0.0265 0.1565 0.3658
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.04 0.0668
Schistosoma mansoni neuropeptide F-like receptor 0.0265 0.1565 1
Mycobacterium tuberculosis Probable hydrolase 0.0074 0.04 0.0668
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0265 0.1565 0.3658
Mycobacterium ulcerans short chain dehydrogenase 0.0067 0.0359 0.0599
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.04 1
Schistosoma mansoni amine GPCR 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0265 0.1565 1
Schistosoma mansoni hypothetical protein 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0067 0.0359 0.8844
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0067 0.0359 0.0599
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.04 0.2555
Onchocerca volvulus 0.0067 0.0359 0.1608
Leishmania major hypothetical protein, conserved 0.0026 0.0111 0.1813
Mycobacterium tuberculosis Probable lipase LipE 0.0074 0.04 0.0668
Trichomonas vaginalis CAMK family protein kinase 0.0087 0.0482 0.0804
Loa Loa (eye worm) neuropeptide F receptor 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.04 0.1988
Echinococcus granulosus neuropeptides capa receptor 0.0265 0.1565 0.3658
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.04 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0586 0.0979
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0265 0.1565 1
Echinococcus multilocularis fmrfamide receptor 0.0265 0.1565 0.1565
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0111 0.0108
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0229 0.0535
Echinococcus granulosus G protein coupled receptor 139 0.0265 0.1565 0.3658
Schistosoma mansoni alpha-1 adrenergic receptor 0.0265 0.1565 1
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0067 0.0359 0.0526
Echinococcus granulosus neuropeptide Y receptor 0.0265 0.1565 0.3658
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0265 0.1565 1
Onchocerca volvulus 0.0265 0.1565 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0067 0.0359 0.0599
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0265 0.1565 1
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0067 0.0359 0.0599
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.04 0.2555
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Onchocerca volvulus 0.0265 0.1565 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0265 0.1565 0.1565
Schistosoma mansoni neuropeptide receptor 0.0265 0.1565 1
Echinococcus multilocularis fmrfamide receptor 0.0265 0.1565 0.1565
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.018 0.0225
Echinococcus multilocularis neuropeptide receptor 0.0265 0.1565 0.1565
Onchocerca volvulus 0.0265 0.1565 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0265 0.1565 0.3658
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Echinococcus multilocularis neuropeptide receptor A26 0.0709 0.4279 0.4279
Trichomonas vaginalis hypothetical protein 0.0989 0.599 1
Echinococcus granulosus g protein coupled receptor 0.0265 0.1565 0.3658
Brugia malayi hypothetical protein 0.0265 0.1565 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0229 0.0229
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0067 0.0359 0.8844
Mycobacterium tuberculosis Probable lipase LipD 0.0074 0.04 0.0668
Loa Loa (eye worm) hypothetical protein 0.0074 0.04 0.1988
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0265 0.1565 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0067 0.0359 0.0599
Mycobacterium ulcerans short chain dehydrogenase 0.0067 0.0359 0.0599
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0265 0.1565 0.3658
Brugia malayi Protein kinase domain containing protein 0.0087 0.0482 0.2985
Schistosoma mansoni hypothetical protein 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0265 0.1565 0.3658
Leishmania major oxidoreductase-like protein 0.0067 0.0359 0.8844
Loa Loa (eye worm) acetyltransferase 0.014 0.0805 0.4773
Brugia malayi sulfakinin receptor protein 0.0265 0.1565 1
Echinococcus granulosus fmrfamide receptor 0.0265 0.1565 0.3658
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0657 0.1097
Mycobacterium ulcerans lipase LipD 0.0074 0.04 0.0668
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0067 0.0359 0.0599
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0265 0.1565 1
Brugia malayi G-protein coupled receptor 0.0265 0.1565 1
Loa Loa (eye worm) neuropeptide F receptor 0.0265 0.1565 1
Echinococcus multilocularis serotonin receptor 0.0265 0.1565 0.1565
Loa Loa (eye worm) hypothetical protein 0.0067 0.0359 0.1707
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0067 0.0359 0.0599
Trypanosoma brucei trypanothione reductase 0.0046 0.0229 0.516
Echinococcus multilocularis neuropeptide receptor 0.0265 0.1565 0.1565
Onchocerca volvulus 0.0265 0.1565 1
Mycobacterium ulcerans short chain dehydrogenase 0.0067 0.0359 0.0599
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.04 0.2453
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Schistosoma mansoni biogenic amine receptor 0.0265 0.1565 1
Brugia malayi hypothetical protein 0.0265 0.1565 1
Onchocerca volvulus 0.0265 0.1565 1
Mycobacterium ulcerans short chain dehydrogenase 0.0067 0.0359 0.0599
Echinococcus granulosus rhodopsin orphan GPCR 0.0265 0.1565 0.3658
Loa Loa (eye worm) hypothetical protein 0.0074 0.04 0.1988
Echinococcus multilocularis neuropeptides capa receptor 0.0265 0.1565 0.1565
Trichomonas vaginalis set domain proteins, putative 0.0231 0.1362 0.2274
Echinococcus multilocularis sex peptide receptor 0.0265 0.1565 0.1565
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0265 0.1565 1
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0111 0.0108
Echinococcus multilocularis neuropeptide Y receptor 0.0265 0.1565 0.1565
Treponema pallidum NADH oxidase 0.0016 0.0047 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0657 0.1097
Brugia malayi hypothetical protein 0.0265 0.1565 1
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0067 0.0359 0.0526
Brugia malayi follicle stimulating hormone receptor 0.0265 0.1565 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0047 0.0109
Loa Loa (eye worm) hypothetical protein 0.0029 0.0128 0.0119
Schistosoma mansoni biogenic amine receptor 0.0265 0.1565 1
Brugia malayi beta-lactamase 0.0074 0.04 0.2453
Brugia malayi Dopamine receptor protein 2 0.0265 0.1565 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0265 0.1565 1
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0067 0.0359 0.2294
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Echinococcus multilocularis neuropeptide Y receptor 0.0265 0.1565 0.1565
Toxoplasma gondii ABC1 family protein 0.0074 0.04 0.0594
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Mycobacterium ulcerans short chain dehydrogenase 0.0067 0.0359 0.0599
Echinococcus multilocularis g-protein coupled receptor 0.0265 0.1565 0.1565
Onchocerca volvulus 0.0265 0.1565 1
Leishmania major trypanothione reductase 0.0046 0.0229 0.516
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0067 0.0359 0.8844
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0265 0.1565 0.3658
Onchocerca volvulus 0.0265 0.1565 1
Echinococcus multilocularis allatostatin A receptor 0.0265 0.1565 0.1565
Echinococcus multilocularis rhodopsin orphan GPCR 0.0265 0.1565 0.1565
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0067 0.0359 0.1707
Echinococcus granulosus neuropeptide Y receptor 0.0265 0.1565 0.3658
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0265 0.1565 1
Giardia lamblia Kinase, TTK 0.0087 0.0482 1
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0067 0.0359 0.0599
Mycobacterium ulcerans short chain dehydrogenase 0.0067 0.0359 0.0599
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0074 0.04 0.0668
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0067 0.0359 0.0526
Echinococcus multilocularis rhodopsin orphan GPCR 0.0265 0.1565 0.1565
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0989 0.599 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0265 0.1565 1
Schistosoma mansoni neuropeptide F-like receptor 0.0265 0.1565 1
Brugia malayi putative neuropeptide receptor NPR1 0.0265 0.1565 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0265 0.1565 1
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0067 0.0359 0.0599
Echinococcus granulosus serotonin receptor 0.0265 0.1565 0.3658
Brugia malayi Serotonin receptor 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0265 0.1565 0.1565
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.0201 0.0336
Echinococcus granulosus neuropeptide receptor 0.0265 0.1565 0.3658
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0067 0.0359 0.0599
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Mycobacterium ulcerans oxidoreductase 0.0067 0.0359 0.0599
Brugia malayi beta-lactamase family protein 0.0074 0.04 0.2453
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.04 0.0668
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0265 0.1565 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0111 0.1813
Mycobacterium tuberculosis Probable reductase 0.0104 0.0586 0.0979
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0067 0.0359 0.0599
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0067 0.0359 0.0599
Onchocerca volvulus 0.0265 0.1565 1
Schistosoma mansoni amine GPCR 0.0265 0.1565 1
Brugia malayi hypothetical protein 0.0026 0.0111 0.0581
Brugia malayi hypothetical protein 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Echinococcus granulosus g protein coupled receptor 0.0265 0.1565 0.3658
Echinococcus multilocularis rhodopsin orphan GPCR 0.0265 0.1565 0.1565
Loa Loa (eye worm) hypothetical protein 0.0074 0.04 0.1988
Echinococcus multilocularis rhodopsin orphan GPCR 0.0265 0.1565 0.1565
Leishmania major hypothetical protein, conserved 0.0074 0.04 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0067 0.0359 0.0599
Echinococcus granulosus tachykinin peptides receptor 99D 0.0265 0.1565 0.3658
Schistosoma mansoni hypothetical protein 0.0179 0.1042 0.6654
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0265 0.1565 1
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0067 0.0359 1
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0067 0.0359 0.0599
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0265 0.1565 1
Plasmodium falciparum enoyl-acyl carrier reductase 0.0989 0.599 1
Schistosoma mansoni histamine h1 receptor 0.0265 0.1565 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0265 0.1565 0.1565
Echinococcus multilocularis g protein coupled receptor 0.0265 0.1565 0.1565
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.04 1
Schistosoma mansoni amine GPCR 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0067 0.0359 0.8844
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0265 0.1565 1
Trichomonas vaginalis esterase, putative 0.0074 0.04 0.0668
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.0586 0.0979
Brugia malayi larval opioid receptor 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0265 0.1565 0.1565
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0047 0.0078
Schistosoma mansoni biogenic amine (5HT) receptor 0.0265 0.1565 1
Brugia malayi Pre-SET motif family protein 0.0203 0.1191 0.7574
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0067 0.0359 0.0599
Plasmodium vivax glutathione reductase, putative 0.0046 0.0229 0.0307
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0047 0.0078
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0989 0.599 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0265 0.1565 0.3658
Onchocerca volvulus 0.0265 0.1565 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0265 0.1565 0.1565
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0067 0.0359 0.0599
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.014 0.0805 0.5142
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.0201 0.026
Loa Loa (eye worm) oxidoreductase 0.0067 0.0359 0.1707
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0067 0.0359 0.2189
Schistosoma mansoni neuropeptide f receptor 76f 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0067 0.0359 0.2189
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0022 0.0022
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0265 0.1565 0.3658
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0111 0.1813
Brugia malayi Dopamine receptor protein 1 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0265 0.1565 0.3658
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Echinococcus multilocularis g protein coupled receptor 0.0265 0.1565 0.1565
Loa Loa (eye worm) hypothetical protein 0.0074 0.04 0.1988
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0657 0.1097
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0047 0.0047
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0229 0.0307
Echinococcus granulosus somatostatin receptor 0.0265 0.1565 0.3658
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0265 0.1565 0.1565
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Loa Loa (eye worm) TYRA-2 protein 0.0265 0.1565 1
Onchocerca volvulus 0.0265 0.1565 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0265 0.1565 0.3658
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0087 0.0482 0.1126
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0067 0.0359 0.0599
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0047 0.0298
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0128 0.0817
Loa Loa (eye worm) retinol dehydrogenase 12 0.0067 0.0359 0.1707
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0067 0.0359 0.0599
Mycobacterium ulcerans short chain dehydrogenase 0.0067 0.0359 0.0599
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Onchocerca volvulus 0.0265 0.1565 1
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0989 0.599 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0265 0.1565 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0265 0.1565 0.1565
Mycobacterium leprae conserved hypothetical protein 0.0074 0.04 0.0668
Schistosoma mansoni amine GPCR 0.0265 0.1565 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.04 0.0668
Echinococcus granulosus rhodopsin orphan GPCR 0.0265 0.1565 0.3658
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0586 0.0979
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0121 0.0284
Echinococcus granulosus rhodopsin orphan GPCR 0.0265 0.1565 0.3658
Brugia malayi Tachykinin-like peptides receptor 99D 0.0265 0.1565 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0265 0.1565 1
Onchocerca volvulus 0.0074 0.04 0.1892
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0128 0.0137
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0265 0.1565 0.1565
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0087 0.0482 0.2463
Echinococcus granulosus rhodopsin orphan GPCR 0.0265 0.1565 0.3658
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Brugia malayi neuropeptide F receptor 0.0265 0.1565 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0265 0.1565 0.3658
Brugia malayi hypothetical protein 0.0017 0.0054 0.0212
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0265 0.1565 0.1565
Echinococcus multilocularis G protein coupled receptor 139 0.0265 0.1565 0.1565
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0074 0.04 0.0668
Echinococcus granulosus tm gpcr rhodopsin 0.0265 0.1565 0.3658
Brugia malayi Dopamine receptor 0.0265 0.1565 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0265 0.1565 0.1565
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0067 0.0359 0.0599
Schistosoma mansoni hypothetical protein 0.0012 0.0022 0.0141
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0047 0.0078
Brugia malayi hypothetical protein 0.0265 0.1565 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0128 0.0128
Echinococcus granulosus alpha 1A adrenergic receptor 0.0265 0.1565 0.3658
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0265 0.1565 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0067 0.0359 0.0599
Schistosoma mansoni opsin-like receptor 0.0265 0.1565 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0067 0.0359 0.8844
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0087 0.0482 0.3079
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.018 0.3074
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0265 0.1565 0.1565
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.04 0.1988
Brugia malayi G protein-coupled receptor F59B2.13 0.0265 0.1565 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.0201 0.0336
Plasmodium vivax SET domain protein, putative 0.0029 0.0128 0.0137
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0265 0.1565 1
Schistosoma mansoni hypothetical protein 0.0179 0.1042 0.6654
Schistosoma mansoni hypothetical protein 0.0265 0.1565 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0265 0.1565 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0265 0.1565 0.1565
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.014 0.0805 0.0805
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0265 0.1565 0.1565
Mycobacterium ulcerans hypothetical protein 0.0074 0.04 0.0668
Echinococcus granulosus neuropeptides capa receptor 0.0265 0.1565 0.3658
Mycobacterium tuberculosis Probable esterase LipL 0.0074 0.04 0.0668
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0265 0.1565 1
Mycobacterium ulcerans short chain dehydrogenase 0.0067 0.0359 0.0599
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0265 0.1565 0.1565
Echinococcus granulosus allatostatin A receptor 0.0265 0.1565 0.3658
Echinococcus granulosus dro:myosuppressin receptor 0.0265 0.1565 0.3658
Loa Loa (eye worm) beta-lactamase 0.0074 0.04 0.1988
Brugia malayi acetyltransferase, GNAT family protein 0.014 0.0805 0.5076
Schistosoma mansoni adenoreceptor 0.0265 0.1565 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.04 0.04
Loa Loa (eye worm) G-protein coupled receptor 0.0265 0.1565 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.0201 0.026
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0067 0.0359 0.8844
Brugia malayi Pre-SET motif family protein 0.0029 0.0128 0.0693
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0265 0.1565 0.1565
Brugia malayi hypothetical protein 0.0265 0.1565 1
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0989 0.599 1
Mycobacterium leprae Probable lipase LipE 0.0074 0.04 0.0668
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0265 0.1565 1
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0067 0.0359 0.0526
Echinococcus granulosus sex peptide receptor 0.0265 0.1565 0.3658
Brugia malayi hypothetical protein 0.0265 0.1565 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0022 0.0052
Brugia malayi hypothetical protein 0.0265 0.1565 1
Brugia malayi Melatonin receptor type 1A 0.0265 0.1565 1
Trypanosoma brucei oxidoreductase-like protein 0.0067 0.0359 0.8844
Brugia malayi hypothetical protein 0.0265 0.1565 1
Brugia malayi AKH receptor 0.0265 0.1565 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0586 0.0979
Mycobacterium ulcerans beta-lactamase 0.0074 0.04 0.0668
Mycobacterium tuberculosis Possible oxidoreductase 0.0067 0.0359 0.0599
Brugia malayi putative neuropeptide receptor 0.0265 0.1565 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0471 0.2824 0.4715
Mycobacterium tuberculosis Conserved protein 0.0074 0.04 0.0668
Onchocerca volvulus 0.0265 0.1565 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0265 0.1565 1
Echinococcus granulosus g protein coupled receptor 0.0265 0.1565 0.3658
Onchocerca volvulus 0.0265 0.1565 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0989 0.599 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0265 0.1565 1
Schistosoma mansoni hypothetical protein 0.0265 0.1565 1
Leishmania major pteridine reductase 1 0.0067 0.0359 0.8844
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0047 0.0078
Toxoplasma gondii thioredoxin reductase 0.0046 0.0229 0.0307
Schistosoma mansoni growth hormone secretagogue receptor 0.0265 0.1565 1
Echinococcus granulosus neuropeptide receptor 0.0265 0.1565 0.3658
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0265 0.1565 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0128 0.0817
Echinococcus granulosus neuropeptide s receptor 0.0709 0.4279 1
Echinococcus granulosus tm gpcr rhodopsin 0.0265 0.1565 0.3658
Onchocerca volvulus 0.0265 0.1565 1
Schistosoma mansoni amine GPCR 0.0265 0.1565 1
Echinococcus multilocularis somatostatin receptor 0.0265 0.1565 0.1565
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0265 0.1565 0.1565
Loa Loa (eye worm) melatonin receptor type 1A 0.0265 0.1565 1
Onchocerca volvulus 0.0265 0.1565 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0128 0.0817
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.04 0.0668
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1565 1
Plasmodium falciparum glutathione reductase 0.0046 0.0229 0.0307
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0586 0.0979
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0128 0.0128
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0229 0.0382

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 22 nM Inhibition of full-length Mps1 kinase (unknown origin) ChEMBL. 24183538
IC50 (functional) = 8.6 uM Cytotoxicity against human HCT116 cells ChEMBL. 24183538

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 24183538

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

1 literature reference was collected for this gene.

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