Detailed information for compound 606765

Basic information

Technical information
  • TDR Targets ID: 606765
  • Name: N'-(8-chloro-5H-pyrimido[5,6-b]indol-4-yl)-N, N-di(propan-2-yl)ethane-1,2-diamine
  • MW: 345.87 | Formula: C18H24ClN5
  • H donors: 2 H acceptors: 2 LogP: 4.34 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)c1ncnc(c1[nH]2)NCCN(C(C)C)C(C)C
  • InChi: 1S/C18H24ClN5/c1-11(2)24(12(3)4)8-7-20-18-17-16(21-10-22-18)14-9-13(19)5-6-15(14)23-17/h5-6,9-12,23H,7-8H2,1-4H3,(H,20,21,22)
  • InChiKey: BBYWAKHSHVBRPU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-(8-chloro-5H-pyrimido[5,6-b]indol-4-yl)-N,N-diisopropyl-ethane-1,2-diamine
  • N'-(8-chloro-5H-pyrimido[5,6-b]indol-4-yl)-N,N-diisopropylethane-1,2-diamine
  • 2-[(8-chloro-5H-pyrimido[5,6-b]indol-4-yl)amino]ethyl-diisopropyl-amine

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
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0044 0.0589 1
Brugia malayi GnHR receptor homolog 0.0307 0.5626 1
Trichomonas vaginalis glucose transporter, putative 0.0039 0.0493 0.1973
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0038 0.0469 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Schistosoma mansoni hypothetical protein 0.0307 0.5626 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0307 0.5626 1
Echinococcus granulosus hypothetical protein 0.0307 0.5626 1
Entamoeba histolytica protein kinase, putative 0.0039 0.0484 1
Echinococcus multilocularis calcium dependent protein kinase 0.0036 0.0438 0.0639
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0084 0.0076
Echinococcus multilocularis rhodopsin orphan GPCR 0.0307 0.5626 1
Brugia malayi lysyl-tRNA synthetase 0.0028 0.0283 0.036
Treponema pallidum prolyl-tRNA synthetase 0.0013 0 0.5
Echinococcus multilocularis orexin receptor type 2 0.0307 0.5626 1
Trichomonas vaginalis glucose transporter, putative 0.0039 0.0493 0.1973
Onchocerca volvulus 0.0307 0.5626 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0307 0.5626 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0028 0.0283 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0307 0.5626 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0307 0.5626 1
Echinococcus multilocularis serotonin receptor 0.0307 0.5626 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0307 0.5626 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0039 0.0484 0.0722
Loa Loa (eye worm) hypothetical protein 0.0018 0.0084 0.0076
Schistosoma mansoni amine GPCR 0.0307 0.5626 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0307 0.5626 1
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0044 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Echinococcus granulosus g protein coupled receptor 0.0307 0.5626 1
Giardia lamblia Prolyl-tRNA synthetase 0.0038 0.0469 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0307 0.5626 1
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0038 0.0469 0.1855
Plasmodium falciparum mitogen-activated protein kinase 2 0.0204 0.3649 0.3595
Trypanosoma brucei glucose transporter, putative 0.0039 0.0493 0.8107
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Trypanosoma brucei glucose transporter, putative 0.0039 0.0493 0.8107
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0044 0.0589 0.0779
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Plasmodium falciparum calcium-dependent protein kinase 3 0.0039 0.0484 0.0404
Trypanosoma cruzi hexose transporter, putative 0.0039 0.0493 0.8107
Echinococcus granulosus tm gpcr rhodopsin 0.0307 0.5626 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0307 0.5626 1
Onchocerca volvulus 0.0307 0.5626 1
Onchocerca volvulus 0.0307 0.5626 1
Onchocerca volvulus 0.0307 0.5626 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0126 0.216 0.3747
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0028 0.0283 0.395
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0028 0.0283 0.0961
Brugia malayi hypothetical protein 0.0307 0.5626 1
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0039 0.0484 0.0792
Schistosoma mansoni neuropeptide receptor 0.0307 0.5626 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0084 0.0076
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0307 0.5626 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0307 0.5626 1
Schistosoma mansoni hypothetical protein 0.0307 0.5626 1
Schistosoma mansoni biogenic amine receptor 0.0307 0.5626 1
Echinococcus multilocularis lysyl tRNA synthetase 0.0028 0.0283 0.036
Echinococcus granulosus rhodopsin orphan GPCR 0.0307 0.5626 1
Echinococcus multilocularis g protein coupled receptor 0.0307 0.5626 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0307 0.5626 1
Mycobacterium ulcerans sugar transporter 0.0018 0.0084 0.2954
Loa Loa (eye worm) hypothetical protein 0.0018 0.0084 0.0076
Echinococcus multilocularis dro:myosuppressin receptor 0.0307 0.5626 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0307 0.5626 1
Echinococcus granulosus neuropeptide Y receptor 0.0307 0.5626 1
Echinococcus granulosus G protein coupled receptor 139 0.0307 0.5626 1
Entamoeba histolytica protein kinase, putative 0.0039 0.0484 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0039 0.0484 0.0722
Echinococcus granulosus biogenic amine 5HT receptor 0.0307 0.5626 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0307 0.5626 1
Brugia malayi Dopamine receptor 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0084 0.0076
Echinococcus multilocularis rhodopsin orphan GPCR 0.0307 0.5626 1
Schistosoma mansoni hypothetical protein 0.0307 0.5626 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0307 0.5626 1
Onchocerca volvulus 0.0307 0.5626 1
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0039 0.0484 0.0617
Brugia malayi Sugar transporter family protein 0.0126 0.216 0.3747
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0039 0.0484 0.0617
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Echinococcus granulosus tm gpcr rhodopsin 0.0307 0.5626 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0039 0.0484 0.0722
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Schistosoma mansoni protein kinase 0.0039 0.0484 0.0722
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Schistosoma mansoni amine GPCR 0.0307 0.5626 1
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0204 0.3649 0.3595
Brugia malayi hypothetical protein 0.0307 0.5626 1
Brugia malayi hypothetical protein 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0484 0.0792
Plasmodium falciparum protein kinase 7 0.0357 0.6571 0.6542
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0307 0.5626 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0307 0.5626 1
Echinococcus granulosus fmrfamide receptor 0.0307 0.5626 1
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0039 0.0484 0.0404
Loa Loa (eye worm) hypothetical protein 0.0018 0.0084 0.0076
Schistosoma mansoni opsin-like receptor 0.0307 0.5626 1
Echinococcus granulosus tm gpcr rhodopsin 0.0307 0.5626 1
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0493 0.1973
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Onchocerca volvulus 0.0307 0.5626 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0126 0.216 0.3747
Trypanosoma cruzi hexose transporter 0.0039 0.0493 0.8107
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Echinococcus granulosus calcium dependent protein kinase 0.0036 0.0438 0.0639
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Schistosoma mansoni histamine h1 receptor 0.0307 0.5626 1
Schistosoma mansoni glucose transport protein 0.0126 0.216 0.3747
Echinococcus multilocularis neuropeptide FF receptor 2 0.0307 0.5626 1
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0039 0.0484 0.7919
Schistosoma mansoni myosin xvIII 0.0307 0.5626 1
Echinococcus multilocularis allatostatin A receptor 0.0307 0.5626 1
Echinococcus multilocularis neuropeptides capa receptor 0.0307 0.5626 1
Schistosoma mansoni neuropeptide receptor 0.0307 0.5626 1
Brugia malayi putative neuropeptide receptor 0.0307 0.5626 1
Schistosoma mansoni amine GPCR 0.0307 0.5626 1
Echinococcus multilocularis fmrfamide receptor 0.0307 0.5626 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0307 0.5626 1
Echinococcus granulosus allatostatin A receptor 0.0307 0.5626 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0307 0.5626 1
Brugia malayi Cam kinase protein 1 0.0039 0.0484 0.0722
Loa Loa (eye worm) major facilitator superfamily transporter 0.0018 0.0084 0.0076
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0204 0.3649 0.5495
Echinococcus granulosus orexin receptor type 2 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0084 0.0076
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0039 0.0484 0.0617
Trypanosoma cruzi hexose transporter, putative 0.0039 0.0493 0.8107
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0307 0.5626 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0307 0.5626 1
Echinococcus granulosus g-protein coupled receptor 0.0307 0.5626 1
Schistosoma mansoni neuropeptide F-like receptor 0.0307 0.5626 1
Brugia malayi Dopamine receptor protein 2 0.0307 0.5626 1
Brugia malayi Dopamine receptor protein 1 0.0307 0.5626 1
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0024 0.0202 1
Echinococcus multilocularis neuropeptides capa receptor 0.0307 0.5626 1
Schistosoma mansoni glucose transport protein 0.0126 0.216 0.3747
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0018 0.0084 0.2954
Trichomonas vaginalis sugar transporter, putative 0.0039 0.0493 0.1973
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0028 0.0283 0.395
Loa Loa (eye worm) neuropeptide F receptor 0.0307 0.5626 1
Onchocerca volvulus 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Trypanosoma brucei glucose transporter, putative 0.0039 0.0493 0.8107
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0039 0.0484 0.0722
Schistosoma mansoni neuropeptide receptor 0.0307 0.5626 1
Echinococcus multilocularis neuropeptide receptor A26 0.0307 0.5626 1
Brugia malayi sulfakinin receptor protein 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Onchocerca volvulus 0.0307 0.5626 1
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0018 0.0084 0.5
Brugia malayi Melatonin receptor type 1A 0.0307 0.5626 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0084 0.0076
Schistosoma mansoni protein kinase 0.0039 0.0484 0.0722
Onchocerca volvulus 0.0307 0.5626 1
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0025 0.0217 0.0641
Brugia malayi G-protein coupled receptor 0.0307 0.5626 1
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0039 0.0484 0.0404
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0307 0.5626 1
Echinococcus multilocularis somatostatin receptor 0.0307 0.5626 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0126 0.216 0.3747
Echinococcus multilocularis g protein coupled receptor 0.0307 0.5626 1
Echinococcus multilocularis fmrfamide receptor 0.0307 0.5626 1
Echinococcus granulosus somatostatin receptor 0.0307 0.5626 1
Schistosoma mansoni hypothetical protein 0.0307 0.5626 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0307 0.5626 1
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0038 0.0469 0.9253
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Schistosoma mansoni biogenic amine receptor 0.0307 0.5626 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0307 0.5626 1
Onchocerca volvulus 0.0307 0.5626 1
Trypanosoma brucei glucose transporter, putative 0.0039 0.0493 0.8107
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0307 0.5626 1
Echinococcus granulosus sex peptide receptor 0.0307 0.5626 1
Brugia malayi Serotonin receptor 0.0307 0.5626 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0307 0.5626 1
Schistosoma mansoni glucose transport protein 0.0126 0.216 0.3747
Loa Loa (eye worm) sugar transporter 0.0018 0.0084 0.0076
Leishmania major protein kinase, putative 0.0039 0.0484 0.7919
Brugia malayi hypothetical protein 0.0307 0.5626 1
Plasmodium falciparum proline--tRNA ligase 0.0044 0.0589 0.051
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Plasmodium falciparum hexose transporter 0.0126 0.216 0.2094
Brugia malayi Serotonin receptor 0.0307 0.5626 1
Schistosoma mansoni opsin-like receptor 0.0307 0.5626 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0307 0.5626 1
Schistosoma mansoni adenoreceptor 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0283 0.0433
Trypanosoma brucei glucose transporter 2A 0.0039 0.0493 0.8107
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0126 0.216 0.3747
Trypanosoma brucei THT1 - hexose transporter, putative 0.0039 0.0493 0.8107
Plasmodium vivax calcium-dependent protein kinase, putative 0.0039 0.0484 0.0404
Onchocerca volvulus Neuropeptide F receptor homolog 0.0307 0.5626 1
Plasmodium vivax hexose transporter 0.0126 0.216 0.2094
Loa Loa (eye worm) G-protein coupled receptor 0.0307 0.5626 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0307 0.5626 1
Plasmodium falciparum calcium-dependent protein kinase 4 0.0039 0.0484 0.0404
Schistosoma mansoni biogenic amine receptor 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Onchocerca volvulus 0.0307 0.5626 1
Brugia malayi neuropeptide F receptor 0.0307 0.5626 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0307 0.5626 1
Loa Loa (eye worm) sugar transporter 0.0126 0.216 0.3794
Schistosoma mansoni biogenic amine (5HT) receptor 0.0307 0.5626 1
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0018 0.0084 0.2954
Onchocerca volvulus 0.0307 0.5626 1
Echinococcus granulosus neuropeptide receptor 0.0307 0.5626 1
Brugia malayi RE15519p 0.0307 0.5626 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0469 0.0765
Echinococcus multilocularis rhodopsin orphan GPCR 0.0307 0.5626 1
Trypanosoma cruzi hexose transporter, putative 0.0021 0.0154 0.1383
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0126 0.216 0.3747
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0044 0.0589 1
Schistosoma mansoni lysyl-tRNA synthetase 0.0028 0.0283 0.036
Brugia malayi G protein-coupled receptor F59B2.13 0.0307 0.5626 1
Echinococcus multilocularis G protein coupled receptor 139 0.0307 0.5626 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0307 0.5626 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0307 0.5626 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0307 0.5626 1
Plasmodium falciparum calcium-dependent protein kinase 5 0.0039 0.0484 0.0404
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0333 0.0522
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Onchocerca volvulus 0.0307 0.5626 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0039 0.0484 0.0722
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0044 0.0589 1
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0126 0.216 0.3747
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0039 0.0484 0.0404
Brugia malayi hypothetical protein 0.0307 0.5626 1
Echinococcus granulosus dro:myosuppressin receptor 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0469 0.0765
Echinococcus multilocularis General substrate transporter 0.0108 0.1821 0.3134
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Plasmodium falciparum calcium-dependent protein kinase 2 0.0039 0.0484 0.0404
Echinococcus multilocularis neuropeptide receptor 0.0307 0.5626 1
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.0484 0.0722
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Echinococcus granulosus serotonin receptor 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Echinococcus multilocularis neuropeptide s receptor 0.0307 0.5626 1
Brugia malayi follicle stimulating hormone receptor 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0307 0.5626 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0028 0.0283 1
Echinococcus granulosus neuropeptides capa receptor 0.0307 0.5626 1
Schistosoma mansoni neuropeptide F-like receptor 0.0307 0.5626 1
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0028 0.0283 0.3046
Trichomonas vaginalis conserved hypothetical protein 0.0126 0.216 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0307 0.5626 1
Echinococcus granulosus neuropeptide receptor 0.0307 0.5626 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0039 0.0484 0.0722
Leishmania major glucose transporter, lmgt2 0.0039 0.0493 0.8107
Leishmania major glucose transporter, lmgt3 0.0039 0.0493 0.8107
Toxoplasma gondii protein kinase, putative 0.0357 0.6571 1
Trichomonas vaginalis sugar transporter, putative 0.0039 0.0493 0.1973
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0493 0.1973
Echinococcus granulosus rhodopsin orphan GPCR 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0307 0.5626 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0307 0.5626 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0307 0.5626 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0307 0.5626 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0039 0.0493 0.8107
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0307 0.5626 1
Schistosoma mansoni neuropeptide receptor 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Echinococcus granulosus neuropeptide receptor A26 0.0307 0.5626 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0039 0.0484 0.0722
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0307 0.5626 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0307 0.5626 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0126 0.216 0.3747
Echinococcus multilocularis rhodopsin orphan GPCR 0.0307 0.5626 1
Schistosoma mansoni lysyl-tRNA synthetase 0.0028 0.0283 0.036
Chlamydia trachomatis lysine--tRNA ligase 0.0028 0.0283 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0307 0.5626 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0307 0.5626 1
Toxoplasma gondii lysine-tRNA ligase 0.0028 0.0283 0.0308
Trypanosoma brucei glucose transporter, putative 0.0039 0.0493 0.8107
Plasmodium falciparum lysine--tRNA ligase 0.0028 0.0283 0.0201
Brugia malayi hypothetical protein 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0084 0.0076
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Echinococcus multilocularis g protein coupled receptor 0.0307 0.5626 1
Leishmania major glucose transporter/membrane transporter D2, putative 0.0039 0.0493 0.8107
Onchocerca volvulus 0.0307 0.5626 1
Brugia malayi G-protein coupled receptor 0.0307 0.5626 1
Mycobacterium ulcerans integral membrane transport protein 0.0018 0.0084 0.2954
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0307 0.5626 1
Schistosoma mansoni opsin-like receptor 0.0307 0.5626 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0307 0.5626 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0307 0.5626 1
Echinococcus granulosus g protein coupled receptor 0.0307 0.5626 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0307 0.5626 1
Onchocerca volvulus 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0084 0.0076
Trypanosoma brucei glucose transporter, putative 0.0039 0.0493 0.8107
Loa Loa (eye worm) hypothetical protein 0.0018 0.0084 0.0076
Loa Loa (eye worm) TYRA-2 protein 0.0307 0.5626 1
Leishmania major lysyl-tRNA synthetase, putative 0.0028 0.0283 0.395
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0038 0.0469 0.0695
Trypanosoma brucei glucose transporter 1E 0.0039 0.0493 0.8107
Onchocerca volvulus 0.0307 0.5626 1
Brugia malayi G protein-coupled receptor 0.0307 0.5626 1
Trichomonas vaginalis CAMK family protein kinase 0.0039 0.0484 0.1927
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0307 0.5626 1
Echinococcus granulosus lysyl tRNA synthetase 0.0028 0.0283 0.036
Brugia malayi hypothetical protein 0.0307 0.5626 1
Echinococcus granulosus neuropeptide s receptor 0.0307 0.5626 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0307 0.5626 1
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0044 0.0589 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0307 0.5626 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0307 0.5626 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0307 0.5626 1
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0039 0.0484 0.0722
Echinococcus granulosus rhodopsin orphan GPCR 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Loa Loa (eye worm) G-protein coupled receptor 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Brugia malayi hypothetical protein 0.0307 0.5626 1
Plasmodium vivax proline--tRNA ligase, putative 0.0044 0.0589 0.051
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0038 0.0469 0.0695
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0307 0.5626 1
Echinococcus multilocularis neuropeptide Y receptor 0.0307 0.5626 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0307 0.5626 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0307 0.5626 1
Echinococcus granulosus neuropeptides capa receptor 0.0307 0.5626 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0307 0.5626 1
Schistosoma mansoni hypothetical protein 0.0126 0.216 0.3747
Brugia malayi putative neuropeptide receptor NPR1 0.0307 0.5626 1
Plasmodium falciparum calcium-dependent protein kinase 1 0.0039 0.0484 0.0404
Loa Loa (eye worm) hypothetical protein 0.0018 0.0084 0.0076
Onchocerca volvulus 0.0307 0.5626 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0307 0.5626 1
Echinococcus multilocularis sex peptide receptor 0.0307 0.5626 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0307 0.5626 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0307 0.5626 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0307 0.5626 1
Trypanosoma cruzi hexose transporter, putative 0.0039 0.0493 0.8107
Brugia malayi AKH receptor 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Leishmania major glucose transporter, lmgt1 0.0039 0.0493 0.8107
Echinococcus multilocularis g-protein coupled receptor 0.0307 0.5626 1
Echinococcus granulosus General substrate transporter 0.0108 0.1821 0.3134
Trichomonas vaginalis sugar transporter, putative 0.0039 0.0493 0.1973
Echinococcus granulosus rhodopsin orphan GPCR 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0084 0.0076
Giardia lamblia Lysyl-tRNA synthetase 0.0028 0.0283 0.5182
Echinococcus granulosus g protein coupled receptor 0.0307 0.5626 1
Schistosoma mansoni amine GPCR 0.0307 0.5626 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0307 0.5626 1
Trypanosoma brucei glucose transporter, putative 0.0039 0.0493 0.8107
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0039 0.0484 0.0722
Echinococcus granulosus neuropeptide Y receptor 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0038 0.0469 0.0695
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Brugia malayi hypothetical protein 0.0307 0.5626 1
Trypanosoma brucei glucose transporter, putative 0.0039 0.0493 0.8107
Echinococcus multilocularis neuropeptide Y receptor 0.0307 0.5626 1
Echinococcus multilocularis serotonin receptor 0.0307 0.5626 1
Brugia malayi hypothetical protein 0.0307 0.5626 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0307 0.5626 1
Loa Loa (eye worm) major facilitator superfamily transporter 0.0018 0.0084 0.0076
Brugia malayi neuropeptide F receptor 0.0307 0.5626 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0038 0.0469 0.0695
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0038 0.0469 0.0695
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0039 0.0484 0.0792
Echinococcus multilocularis neuropeptide receptor 0.0307 0.5626 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0307 0.5626 1
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0024 0.0202 1
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0038 0.0469 0.0695
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0126 0.216 0.3747
Schistosoma mansoni amine GPCR 0.0307 0.5626 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0307 0.5626 1
Toxoplasma gondii facilitative glucose transporter GT1 0.0126 0.216 0.3201
Schistosoma mansoni protein kinase 0.0039 0.0484 0.0722
Plasmodium vivax lysine--tRNA ligase, putative 0.0028 0.0283 0.0201
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0084 0.0076
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0307 0.5626 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1
Brugia malayi ORL1-like opioid receptor 0.0307 0.5626 1
Loa Loa (eye worm) neuropeptide F receptor 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0084 0.0076
Brugia malayi larval opioid receptor 0.0307 0.5626 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0307 0.5626 1
Plasmodium vivax CDK-related protein kinase 6, putative 0.0536 1 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0039 0.0493 0.8107
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0307 0.5626 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0307 0.5626 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.5626 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 15.18 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
CC50 = 15.18 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 0.2525 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.2525 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) = 0.2617 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.2617 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
IFI promiscuity index = 0.02439 IFI promiscuity index Novartis-GNF Malaria Box. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18579783

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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