Detailed information for compound 1113758

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 422.993 | Formula: C25H31ClN4
  • H donors: 1 H acceptors: 1 LogP: 4.84 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCNCc1nccc2c1n(Cc1ccccc1)c1c2cccc1)CC.Cl
  • InChi: 1S/C25H30N4.ClH/c1-3-28(4-2)17-16-26-18-23-25-22(14-15-27-23)21-12-8-9-13-24(21)29(25)19-20-10-6-5-7-11-20;/h5-15,26H,3-4,16-19H2,1-2H3;1H
  • InChiKey: LZXUVJWDHZQBPF-UHFFFAOYSA-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
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Loa Loa (eye worm) hypothetical protein 0.0185 0.3381 0.7817
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1061 0.9314
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0037 0.052 0.4563
Schistosoma mansoni hypothetical protein 0.0011 0.0011 0.0032
Loa Loa (eye worm) major facilitator superfamily transporter 0.0017 0.0137 0.0317
Leishmania major glucose transporter, lmgt2 0.0039 0.0544 0.1577
Plasmodium falciparum protein kinase 7 0.0351 0.659 0.6542
Echinococcus multilocularis synaptic vesicle 2 protein 0.0017 0.0137 0.0397
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0069 0.114 0.3301
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0017 0.0137 0.0397
Schistosoma mansoni zinc finger protein 0.0015 0.0092 0.0265
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0272 0.0137
Onchocerca volvulus 0.0017 0.0137 0.0316
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Loa Loa (eye worm) hypothetical protein 0.003 0.0385 0.089
Trichomonas vaginalis sugar transporter, putative 0.0039 0.0544 0.1257
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0069 0.114 0.3301
Echinococcus multilocularis solute carrier family 22 0.0017 0.0137 0.0397
Loa Loa (eye worm) CYP4Cod1 0.0069 0.114 0.2635
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Echinococcus multilocularis sodium channel protein 0.0048 0.0726 0.2104
Echinococcus granulosus voltage dependent calcium channel 0.0026 0.0307 0.0888
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0038 0.0535 0.0812
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0069 0.114 0.3301
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0017 0.0137 0.2709
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0125 0.0362
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1061 0.9314
Schistosoma mansoni sugar transporter 0.0017 0.0137 0.0397
Mycobacterium ulcerans aldehyde dehydrogenase 0.0189 0.3452 1
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0038 0.0535 0.1237
Echinococcus granulosus solute carrier family 22 0.0017 0.0137 0.0397
Loa Loa (eye worm) hypothetical protein 0.0028 0.0335 0.0775
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0137 0.0316
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0038 0.0535 0.1237
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0017 0.0137 0.0397
Schistosoma mansoni lysyl-tRNA synthetase 0.0028 0.0335 0.0972
Loa Loa (eye worm) cytochrome P450 family protein 0.0234 0.4326 1
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0185 0.3381 0.9794
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0069 0.114 0.3301
Schistosoma mansoni hypothetical protein 0.0069 0.114 0.3301
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0431 0.3785
Trypanosoma brucei THT1 - hexose transporter, putative 0.0039 0.0544 0.4777
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0043 0.064 0.5611
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.023 0.0667
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0048 0.0726 0.2104
Echinococcus multilocularis voltage dependent calcium channel 0.0185 0.3381 0.9794
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.3779 0.8737
Trypanosoma brucei glucose transporter, putative 0.0039 0.0544 0.4777
Echinococcus granulosus Sugar transporter ERD6 protein 0.0017 0.0137 0.0397
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0069 0.114 0.3301
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0069 0.114 0.3301
Echinococcus multilocularis zinc finger protein 0.0019 0.0173 0.0502
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0185 0.3381 0.9794
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0123 0.2182 0.5045
Schistosoma mansoni lysyl-tRNA synthetase 0.0028 0.0335 0.0972
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0069 0.114 0.3301
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0185 0.3381 0.9794
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0017 0.0137 0.0397
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0038 0.0535 0.155
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0043 0.064 0.1852
Loa Loa (eye worm) hypothetical protein 0.0017 0.0137 0.0317
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0043 0.064 0.1852
Onchocerca volvulus Putative transporter 0.0017 0.0137 0.0316
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0069 0.114 0.3301
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0125 0.0362
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0505 0.1464
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0185 0.3381 0.9794
Leishmania major lysyl-tRNA synthetase, putative 0.0028 0.0335 0.0972
Leishmania major cytochrome p450-like protein 0.0069 0.114 0.3301
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0505 0.1167
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0069 0.114 0.3301
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Trichomonas vaginalis sugar transporter, putative 0.0039 0.0544 0.1257
Echinococcus multilocularis solute carrier family 22 0.0017 0.0137 0.0397
Trichomonas vaginalis set domain proteins, putative 0.0234 0.4329 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0069 0.114 0.3301
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0124 0.2202 0.638
Loa Loa (eye worm) calcium channel 0.0185 0.3381 0.7817
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0038 0.0535 0.155
Onchocerca volvulus 0.0029 0.037 0.0854
Loa Loa (eye worm) hypothetical protein 0.0017 0.0137 0.0317
Schistosoma mansoni aldehyde dehydrogenase 0.0189 0.3452 1
Onchocerca volvulus 0.0017 0.0137 0.0316
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.1061 0.3075
Toxoplasma gondii lysine-tRNA ligase 0.0028 0.0335 0.0509
Onchocerca volvulus 0.0017 0.0137 0.0316
Loa Loa (eye worm) hypothetical protein 0.0017 0.0137 0.0317
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.037 0.1071
Schistosoma mansoni protein kinase 0.0038 0.0535 0.155
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0069 0.114 0.3301
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Brugia malayi hypothetical protein 0.0024 0.0272 0.0629
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.0696 0.2016
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0696 0.2016
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.053 0.1534
Loa Loa (eye worm) hypothetical protein 0.0017 0.0137 0.0317
Plasmodium falciparum calcium-dependent protein kinase 5 0.0038 0.0535 0.0404
Brugia malayi Sugar transporter family protein 0.0017 0.0137 0.0317
Schistosoma mansoni serine/threonine protein kinase 0.0038 0.0535 0.155
Onchocerca volvulus 0.0017 0.0137 0.0316
Onchocerca volvulus 0.0017 0.0137 0.0316
Mycobacterium ulcerans sugar transporter 0.0017 0.0137 0.0397
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0015 0.0095 0.022
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.1061 0.3075
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0137 0.0316
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Echinococcus multilocularis solute carrier family 22 0.0017 0.0137 0.0397
Schistosoma mansoni protein kinase 0.0038 0.0535 0.155
Brugia malayi Cytochrome P450 family protein 0.0234 0.4326 1
Echinococcus granulosus cytochrome P450 2K1 0.0069 0.114 0.3301
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0028 0.0335 0.2943
Onchocerca volvulus 0.0017 0.0137 0.0316
Echinococcus multilocularis 0.0069 0.114 0.3301
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0124 0.2202 0.638
Schistosoma mansoni sugar transporter 0.0017 0.0137 0.0397
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0037 0.052 0.1506
Giardia lamblia Sugar-proton symporter 0.0017 0.0137 0.2633
Plasmodium vivax proline--tRNA ligase, putative 0.0043 0.064 0.051
Brugia malayi PHD-finger family protein 0.0025 0.0275 0.0637
Brugia malayi Cytochrome P450 family protein 0.0069 0.114 0.2635
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0024 0.0269 0.0622
Giardia lamblia Prolyl-tRNA synthetase 0.0037 0.052 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0272 0.2388
Trypanosoma brucei glucose transporter, putative 0.0039 0.0544 0.4777
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0189 0.3452 1
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0024 0.0255 0.0737
Trypanosoma cruzi sugar transporter, putative 0.0017 0.0137 0.1201
Entamoeba histolytica protein kinase, putative 0.0038 0.0535 0.504
Echinococcus multilocularis voltage dependent calcium channel 0.0185 0.3381 0.9794
Leishmania major protein kinase, putative 0.0038 0.0535 0.155
Trichomonas vaginalis glucose transporter, putative 0.0039 0.0544 0.1257
Plasmodium vivax CDK-related protein kinase 6, putative 0.0527 1 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0028 0.0335 0.0972
Plasmodium falciparum calcium-dependent protein kinase 1 0.0038 0.0535 0.0404
Loa Loa (eye worm) major facilitator superfamily transporter 0.0017 0.0137 0.0317
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0201 0.3683 0.3595
Loa Loa (eye worm) hypothetical protein 0.0037 0.052 0.1202
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0038 0.0535 0.0812
Schistosoma mansoni sugar transporter 0.0017 0.0137 0.0397
Brugia malayi Sugar transporter family protein 0.0124 0.2202 0.5092
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0185 0.3381 0.9794
Treponema pallidum prolyl-tRNA synthetase 0.0013 0.0054 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0037 0.052 0.1506
Mycobacterium ulcerans integral membrane transport protein 0.0017 0.0137 0.0397
Schistosoma mansoni glucose transporter 0.0017 0.0137 0.0397
Schistosoma mansoni inositol monophosphatase 0.0036 0.0505 0.1464
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0037 0.052 0.1506
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0505 0.4434
Brugia malayi Cam kinase protein 1 0.0038 0.0535 0.1237
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0125 0.0362
Onchocerca volvulus 0.0017 0.0137 0.0316
Brugia malayi Pre-SET motif family protein 0.0206 0.3779 0.8737
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0069 0.114 0.3301
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0069 0.114 0.3301
Trypanosoma cruzi ISWI complex protein 0.0015 0.0092 0.0803
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Giardia lamblia Hexose transporter 0.0017 0.0137 0.2633
Trypanosoma brucei glucose transporter, putative 0.0039 0.0544 0.4777
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0123 0.2182 0.6322
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1061 0.9314
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0028 0.0335 0.2943
Trypanosoma cruzi hexose transporter, putative 0.0039 0.0544 0.4777
Loa Loa (eye worm) hypothetical protein 0.004 0.0578 0.1336
Toxoplasma gondii facilitative glucose transporter GT1 0.0124 0.2202 0.3342
Brugia malayi lysyl-tRNA synthetase 0.0028 0.0335 0.0775
Plasmodium falciparum hexose transporter 0.0124 0.2202 0.2094
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0017 0.0137 0.1201
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0066 0.1086 0.9528
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Echinococcus granulosus solute carrier family 22 0.0017 0.0137 0.0397
Loa Loa (eye worm) hypothetical protein 0.0017 0.0137 0.0317
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.023 0.0667
Loa Loa (eye worm) cytochrome P450 0.0069 0.114 0.2635
Trypanosoma cruzi hexose transporter 0.0039 0.0544 0.4777
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0017 0.0137 0.0397
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0038 0.0535 0.155
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0069 0.114 0.3301
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0069 0.114 1
Brugia malayi major facilitator superfamily protein 0.0017 0.0137 0.0317
Echinococcus multilocularis lysyl tRNA synthetase 0.0028 0.0335 0.0972
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0017 0.0137 0.0397
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0038 0.0535 0.4694
Trypanosoma brucei ISWI complex protein 0.0015 0.0092 0.0803
Trypanosoma cruzi hexose transporter, putative 0.0039 0.0544 0.4777
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0544 0.1257
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0069 0.114 0.3301
Loa Loa (eye worm) hypothetical protein 0.0017 0.0137 0.0317
Echinococcus granulosus General substrate transporter 0.0107 0.1865 0.5401
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0069 0.114 0.3301
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0038 0.0535 0.155
Trypanosoma brucei glucose transporter, putative 0.0039 0.0544 0.4777
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0028 0.0335 0.2943
Toxoplasma gondii sugar transporter ST1 0.0017 0.0137 0.0208
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0069 0.114 0.3301
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0069 0.114 0.3301
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0069 0.114 0.3301
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0185 0.3381 0.9794
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0038 0.0535 0.0404
Giardia lamblia Lysyl-tRNA synthetase 0.0028 0.0335 0.645
Echinococcus multilocularis solute carrier family 22 0.0017 0.0137 0.0397
Leishmania major glucose transporter, lmgt1 0.0039 0.0544 0.1577
Toxoplasma gondii cytochrome p450 superfamily protein 0.0069 0.114 0.1729
Trypanosoma brucei glucose transporter, putative 0.0039 0.0544 0.4777
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0043 0.064 0.097
Brugia malayi Cytochrome P450 family protein 0.0069 0.114 0.2635
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0037 0.052 0.1202
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.037 0.1071
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Schistosoma mansoni voltage-gated cation channel 0.0185 0.3381 0.9794
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0069 0.114 0.3301
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Loa Loa (eye worm) hypothetical protein 0.0017 0.0137 0.0317
Plasmodium vivax lysine--tRNA ligase, putative 0.0028 0.0335 0.0201
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0069 0.114 0.3301
Plasmodium falciparum calcium-dependent protein kinase 2 0.0038 0.0535 0.0404
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.0941 0.2725
Toxoplasma gondii transporter, major facilitator family protein 0.0017 0.0137 0.0208
Loa Loa (eye worm) hypothetical protein 0.0046 0.0696 0.1609
Plasmodium falciparum calcium-dependent protein kinase 4 0.0038 0.0535 0.0404
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0037 0.052 0.1506
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0069 0.114 0.3301
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0115 0.2022 0.4675
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0069 0.114 0.3301
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0201 0.3683 0.5589
Trichomonas vaginalis myo-inositol transporter, putative 0.0017 0.0137 0.0316
Loa Loa (eye worm) hypothetical protein 0.0019 0.0159 0.0367
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0137 0.0316
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0123 0.2182 0.6322
Mycobacterium leprae Conserved hypothetical protein 0.0069 0.114 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0137 0.0317
Loa Loa (eye worm) inositol-1 0.0036 0.0505 0.1168
Brugia malayi Sugar transporter family protein 0.0017 0.0137 0.0317
Brugia malayi hypothetical protein 0.0017 0.0137 0.0317
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0696 0.2016
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0189 0.3452 1
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Schistosoma mansoni hypothetical protein 0.0015 0.0092 0.0265
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.1061 0.3075
Brugia malayi major facilitator superfamily protein 0.0017 0.0137 0.0317
Loa Loa (eye worm) cytochrome P450 family protein 0.0069 0.114 0.2635
Leishmania major glucose transporter, lmgt3 0.0039 0.0544 0.1577
Echinococcus multilocularis General substrate transporter 0.0107 0.1865 0.5401
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0038 0.0535 0.0404
Trypanosoma cruzi hexose transporter, putative 0.0021 0.0206 0.1811
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0505 0.1167
Trypanosoma brucei glucose transporter, putative 0.0039 0.0544 0.4777
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0137 0.0316
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0066 0.1086 0.9528
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0185 0.3381 0.9794
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0038 0.0535 0.1237
Brugia malayi Pre-SET motif family protein 0.0029 0.037 0.0855
Leishmania major myo-inositol/proton symporter (MIT) 0.0017 0.0137 0.0397
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0505 0.4434
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0123 0.2182 0.6322
Onchocerca volvulus 0.0017 0.0137 0.0316
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0011 0.0032
Plasmodium falciparum mitogen-activated protein kinase 2 0.0201 0.3683 0.3595
Leishmania major cytochrome p450-like protein 0.0069 0.114 0.3301
Trichomonas vaginalis CAMK family protein kinase 0.0038 0.0535 0.1236
Entamoeba histolytica protein kinase, putative 0.0038 0.0535 0.504
Onchocerca volvulus 0.0017 0.0137 0.0316
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0231 0.4262 0.9853
Toxoplasma gondii protein kinase, putative 0.0351 0.659 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0124 0.2202 0.638
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Schistosoma mansoni hypothetical protein 0.0124 0.2202 0.638
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0124 0.2202 0.638
Onchocerca volvulus 0.0017 0.0137 0.0316
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Onchocerca volvulus 0.0017 0.0137 0.0316
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0505 0.1464
Onchocerca volvulus 0.0017 0.0137 0.0316
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0123 0.2182 0.6322
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0272 0.2388
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0124 0.2202 0.638
Mycobacterium ulcerans aldehyde dehydrogenase 0.0189 0.3452 1
Brugia malayi follicle stimulating hormone receptor 0.0231 0.4262 0.9853
Leishmania major hypothetical protein, conserved 0.0015 0.0092 0.0265
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0024 0.0255 0.0737
Echinococcus multilocularis calcium dependent protein kinase 0.0036 0.0489 0.1418
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0185 0.3381 0.7817
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0544 0.1257
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0069 0.114 0.3301
Trichomonas vaginalis glucose transporter, putative 0.0017 0.0137 0.0316
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0069 0.114 0.3301
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0069 0.114 0.3301
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0123 0.2182 0.6322
Echinococcus granulosus voltage dependent calcium channel 0.0185 0.3381 0.9794
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0272 0.0137
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0069 0.114 0.3301
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0069 0.114 0.3301
Mycobacterium leprae putative cytochrome p450 0.0069 0.114 1
Schistosoma mansoni hypothetical protein 0.002 0.0194 0.0561
Brugia malayi Bromodomain containing protein 0.0074 0.1233 0.2851
Schistosoma mansoni aldehyde dehydrogenase 0.0189 0.3452 1
Echinococcus granulosus solute carrier family 22 0.0017 0.0137 0.0397
Brugia malayi Major Facilitator Superfamily protein 0.0017 0.0137 0.0317
Schistosoma mansoni cytochrome P450 0.0069 0.114 0.3301
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Brugia malayi hypothetical protein 0.0017 0.0137 0.0317
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0069 0.114 0.3301
Loa Loa (eye worm) sugar transporter 0.0017 0.0137 0.0317
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0028 0.0335 0.0775
Echinococcus granulosus transcription factor Dp 1 0.0038 0.053 0.1534
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0185 0.3381 0.9794
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0125 0.0362
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.1061 1
Onchocerca volvulus 0.0017 0.0137 0.0316
Loa Loa (eye worm) hypothetical protein 0.0017 0.0137 0.0317
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0037 0.052 0.4899
Trypanosoma brucei glucose transporter 2A 0.0039 0.0544 0.4777
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0069 0.114 0.3301
Trypanosoma cruzi cytochrome P450, putative 0.0069 0.114 1
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0431 0.1249
Trichomonas vaginalis sugar transporter, putative 0.0039 0.0544 0.1257
Echinococcus granulosus solute carrier family 22 0.0017 0.0137 0.0397
Onchocerca volvulus 0.0017 0.0137 0.0316
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0037 0.052 0.1201
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0194 0.0448
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0189 0.3452 1
Leishmania major hypothetical protein, conserved 0.0024 0.0272 0.0788
Mycobacterium ulcerans aldehyde dehydrogenase 0.0189 0.3452 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0028 0.0335 0.0972
Entamoeba histolytica hypothetical protein 0.0028 0.0335 0.316
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0272 0.2388
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.0696 0.2016
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0124 0.2202 0.638
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0069 0.114 0.3301
Onchocerca volvulus 0.0234 0.4329 1
Trichomonas vaginalis conserved hypothetical protein 0.0124 0.2202 0.5087
Onchocerca volvulus 0.0017 0.0137 0.0316
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0017 0.0137 0.0397
Loa Loa (eye worm) cytochrome P450 family protein 0.0069 0.114 0.2635
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0505 0.0767
Brugia malayi Major Facilitator Superfamily protein 0.0017 0.0137 0.0317
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0037 0.052 0.1202
Trypanosoma brucei THT1 - hexose transporter, putative 0.0039 0.0544 0.4777
Plasmodium falciparum lysine--tRNA ligase 0.0028 0.0335 0.0201
Brugia malayi Inositol-1 0.0036 0.0505 0.1168
Trypanosoma brucei cytochrome P450, putative 0.0069 0.114 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.037 0.1071
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0013 0.0054 0.0155
Trypanosoma brucei glucose transporter, putative 0.0039 0.0544 0.4777
Schistosoma mansoni glucose transport protein 0.0124 0.2202 0.638
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0505 0.1167
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0505 0.1464
Schistosoma mansoni glucose transport protein 0.0124 0.2202 0.638
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Trypanosoma brucei glucose transporter 1E 0.0039 0.0544 0.4777
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0038 0.0535 0.155
Brugia malayi hypothetical protein 0.0016 0.0104 0.0241
Leishmania major hypothetical protein, conserved 0.0017 0.0137 0.0397
Plasmodium vivax SET domain protein, putative 0.0029 0.037 0.0236
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0038 0.0535 0.0812
Loa Loa (eye worm) voltage-dependent calcium channel 0.0026 0.0307 0.0709
Echinococcus granulosus lysyl tRNA synthetase 0.0028 0.0335 0.0972
Plasmodium vivax hexose transporter 0.0124 0.2202 0.2094
Loa Loa (eye worm) hypothetical protein 0.0017 0.0137 0.0317
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0189 0.3452 1
Leishmania major glucose transporter/membrane transporter D2, putative 0.0039 0.0544 0.1577
Schistosoma mansoni glucose transport protein 0.0124 0.2202 0.638
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0069 0.114 0.3301
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0024 0.0255 0.2234
Loa Loa (eye worm) sugar transporter 0.0124 0.2202 0.5092
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0038 0.0535 0.155
Trichomonas vaginalis sugar transport protein, putative 0.0017 0.0137 0.0316
Trypanosoma cruzi ISWI complex protein 0.0015 0.0092 0.0803
Plasmodium falciparum proline--tRNA ligase 0.0043 0.064 0.051
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0043 0.064 0.5611
Onchocerca volvulus 0.0017 0.0137 0.0316
Schistosoma mansoni inositol monophosphatase 0.0036 0.0505 0.1464
Schistosoma mansoni bromodomain containing protein 0.0063 0.1009 0.2923
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0069 0.114 0.3301
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0069 0.114 0.3301
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0038 0.0535 0.155
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0069 0.114 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0123 0.2182 0.6322
Plasmodium vivax calcium-dependent protein kinase, putative 0.0038 0.0535 0.0404
Loa Loa (eye worm) hypothetical protein 0.007 0.1152 0.2662
Schistosoma mansoni zinc finger protein 0.0019 0.0173 0.0502
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0505 1
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0069 0.114 0.3301
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0124 0.2202 0.638
Brugia malayi Bromodomain containing protein 0.0038 0.0531 0.1229
Trypanosoma brucei THT1 - hexose transporter, putative 0.0039 0.0544 0.4777
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.037 0.0561
Loa Loa (eye worm) hypothetical protein 0.0037 0.052 0.1202
Loa Loa (eye worm) hypothetical protein 0.0017 0.0137 0.0317
Brugia malayi hypothetical protein 0.0017 0.0137 0.0317
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0505 0.4761
Schistosoma mansoni protein kinase 0.0038 0.0535 0.155
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0185 0.3381 0.9794
Schistosoma mansoni sugar transporter 0.0017 0.0137 0.0397
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0272 0.0137
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Brugia malayi Cytochrome P450 family protein 0.0069 0.114 0.2635
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0505 0.1464
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0349 0.1011
Echinococcus granulosus zinc finger protein 0.0019 0.0173 0.0502
Brugia malayi cytochrome P450 0.0069 0.114 0.2635
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0038 0.0535 0.155
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0137 0.0316
Trichomonas vaginalis glucose transporter, putative 0.0039 0.0544 0.1257
Loa Loa (eye worm) hypothetical protein 0.0017 0.0137 0.0317
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0069 0.114 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0137 0.0317
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0505 0.4434
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0486 0.1408
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0123 0.2182 0.6322
Brugia malayi Major Facilitator Superfamily protein 0.0017 0.0137 0.0317
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.023 0.0667
Toxoplasma gondii hypothetical protein 0.0019 0.0159 0.0241
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.0941 0.2725
Echinococcus granulosus calcium dependent protein kinase 0.0036 0.0489 0.1418
Loa Loa (eye worm) hypothetical protein 0.0042 0.0615 0.1421
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0124 0.2202 0.638
Loa Loa (eye worm) hypothetical protein 0.0038 0.0535 0.1237
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0043 0.064 0.5611
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0011 0.0032
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0069 0.114 0.3301
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0069 0.114 0.3301
Toxoplasma gondii aldehyde dehydrogenase 0.0189 0.3452 0.5239
Loa Loa (eye worm) hypothetical protein 0.0026 0.0307 0.0709
Trypanosoma cruzi hexose transporter, putative 0.0017 0.0137 0.1201
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0069 0.114 0.3301
Toxoplasma gondii transporter, cation channel family protein 0.0026 0.0307 0.0465
Trypanosoma brucei sugar transporter, putative 0.0017 0.0137 0.1201
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Trypanosoma cruzi hexose transporter, putative 0.0039 0.0544 0.4777
Plasmodium falciparum calcium-dependent protein kinase 3 0.0038 0.0535 0.0404
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.1061 0.2454
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.1061 0.2454
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0038 0.0535 0.0404
Trypanosoma brucei glucose transporter, putative 0.0039 0.0544 0.4777
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0069 0.114 0.3301
Toxoplasma gondii sugar transporter ST2 0.0017 0.0137 0.0208
Chlamydia trachomatis lysine--tRNA ligase 0.0028 0.0335 1
Trypanosoma cruzi cytochrome P450, putative 0.0069 0.114 1
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Trichomonas vaginalis sugar transporter, putative 0.0017 0.0137 0.0316
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.1061 0.3075
Leishmania major cytochrome p450-like protein 0.0069 0.114 0.3301
Toxoplasma gondii sugar transporter ST3 0.0017 0.0137 0.0208
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0069 0.114 0.3301
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0272 0.0413
Loa Loa (eye worm) hypothetical protein 0.0024 0.0272 0.0629
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0137 0.0316
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0486 0.1408
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0069 0.114 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0533 0.1232
Trypanosoma cruzi glucose transporter, putative 0.0017 0.0137 0.1201
Loa Loa (eye worm) hypothetical protein 0.0017 0.0137 0.0317
Loa Loa (eye worm) hypothetical protein 0.0019 0.0159 0.0367
Echinococcus granulosus synaptic vesicle 2 protein 0.0017 0.0137 0.0397
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0069 0.114 0.3301
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0069 0.114 0.3301
Loa Loa (eye worm) hypothetical protein 0.0017 0.0137 0.0317

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 28 uM Cytotoxicity against human A375 cells by MTT assay ChEMBL. 21875764
IC50 (functional) = 32.5 uM Cytotoxicity against human OS-RC2 cells by MTT assay ChEMBL. 21875764
IC50 (functional) = 34.9 uM Cytotoxicity against human 769-P cells by MTT assay ChEMBL. 21875764
IC50 (functional) = 59.5 uM Cytotoxicity against human HepG2 cells by MTT assay ChEMBL. 21875764
IC50 (functional) = 62.3 uM Cytotoxicity against human MCF7 cells by MTT assay ChEMBL. 21875764
IC50 (functional) = 63.8 uM Cytotoxicity against human HT-29 cells by MTT assay ChEMBL. 21875764
IC50 (functional) = 68.6 uM Cytotoxicity against human 786-0 cells by MTT assay ChEMBL. 21875764
IC50 (functional) = 73.2 uM Cytotoxicity against human 22Rv1 cells by MTT assay ChEMBL. 21875764
IC50 (functional) > 100 uM Cytotoxicity against human KB cells by MTT assay ChEMBL. 21875764
IC50 (functional) > 100 uM Cytotoxicity against human BGC823 cells by MTT assay ChEMBL. 21875764

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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