Detailed information for compound 972969

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 433.501 | Formula: C28H23N3O2
  • H donors: 0 H acceptors: 3 LogP: 6.65 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc(cc1)/C=C/c1nccc2c1n(CCCc1ccccc1)c1c2cccc1
  • InChi: 1S/C28H23N3O2/c32-31(33)23-15-12-22(13-16-23)14-17-26-28-25(18-19-29-26)24-10-4-5-11-27(24)30(28)20-6-9-21-7-2-1-3-8-21/h1-5,7-8,10-19H,6,9,20H2/b17-14+
  • InChiKey: VVLDVCDWMIUVBJ-SAPNQHFASA-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
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0028 0.0028
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0005 0.0005
Mycobacterium ulcerans lipase LipD 0.0039 0.0031 0.0023
Brugia malayi PHD-finger family protein 0.0026 0.0009 0.0001
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0024 0.0035
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0049 0.0049
Brugia malayi Dihydrofolate reductase 0.5982 1 1
Plasmodium vivax proline--tRNA ligase, putative 0.0039 0.0032 0.0052
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0031 0.0031
Trypanosoma brucei glucose transporter, putative 0.0035 0.0024 0.0035
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0033 0.0022 0.0022
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0022 0.003
Leishmania major dihydrofolate reductase-thymidylate synthase 0.2776 0.4622 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0153 0.0222 0.0464
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0049 0.0049
Echinococcus multilocularis General substrate transporter 0.0097 0.0128 0.0128
Plasmodium vivax hexose transporter 0.0112 0.0154 0.0317
Echinococcus granulosus lysosomal alpha glucosidase 0.0175 0.026 0.026
Plasmodium falciparum calcium-dependent protein kinase 5 0.0034 0.0024 0.0034
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0034 0.0024 0.0034
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0034 0.0022 0.0021
Brugia malayi hypothetical protein 0.0127 0.0179 0.0172
Loa Loa (eye worm) sugar transporter 0.0112 0.0154 0.0152
Mycobacterium tuberculosis Conserved protein 0.0039 0.0031 0.0029
Loa Loa (eye worm) hypothetical protein 0.0039 0.0031 0.0029
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0025 0.0008 0.0236
Loa Loa (eye worm) hypothetical protein 0.0073 0.0089 0.0087
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0031 0.0029
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0034 0.0024 0.0034
Echinococcus multilocularis calcium dependent protein kinase 0.0032 0.002 0.002
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.006 0.006
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0031 0.1291
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0044 0.004 0.0038
Trichomonas vaginalis sucrase-isomaltase, putative 0.0039 0.0031 0.1291
Brugia malayi mbt repeat family protein 0.005 0.0049 0.0041
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0034 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0034 0.0022 0.0021
Plasmodium falciparum protein kinase 6 0.0477 0.0766 0.1642
Schistosoma mansoni bromodomain containing protein 0.0066 0.0076 0.0076
Mycobacterium tuberculosis Hypothetical protein 0.0153 0.0222 0.022
Schistosoma mansoni glucose transport protein 0.0112 0.0154 0.0154
Leishmania major glucose transporter, lmgt1 0.0035 0.0024 0.0035
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0031 0.0023
Trypanosoma brucei glucose transporter, putative 0.0035 0.0024 0.0035
Brugia malayi Sugar transporter family protein 0.0112 0.0154 0.0146
Entamoeba histolytica protein kinase, putative 0.0034 0.0024 0.6763
Schistosoma mansoni dihydrofolate reductase 0.5982 1 1
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0049 0.0049
Trypanosoma brucei glucose transporter, putative 0.0035 0.0024 0.0035
Plasmodium falciparum mitogen-activated protein kinase 2 0.0181 0.027 0.0569
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0112 0.0154 0.0154
Echinococcus multilocularis thymidylate synthase 0.0321 0.0504 0.0504
Trichomonas vaginalis maltase-glucoamylase, putative 0.0039 0.0031 0.1291
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.004 0.0033 0.0031
Trypanosoma brucei glucose transporter 2A 0.0035 0.0024 0.0035
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.2776 0.4622 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0031 0.0031
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0034 0.0024 0.0034
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0022 0.003
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0031 0.005
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0034 0.0024 0.0024
Leishmania major protein kinase, putative 0.0034 0.0024 0.0034
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0024 0.0024
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0321 0.0504 0.0504
Mycobacterium ulcerans hypothetical protein 0.0039 0.0031 0.0023
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0034 0.0024 0.0022
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0031 1
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0024 0.0983
Schistosoma mansoni glucose transport protein 0.0112 0.0154 0.0154
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0034 0.0022 0.0022
Trypanosoma brucei glucose transporter, putative 0.0035 0.0024 0.0035
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0031 0.0029
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0039 0.0032 0.0052
Plasmodium falciparum hexose transporter 0.0112 0.0154 0.0317
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.006 0.006
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0049 0.0384
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0024 0.0024
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0005 0.0005
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0031 0.1291
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0034 0.0024 0.0034
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0181 0.027 0.0569
Trichomonas vaginalis conserved hypothetical protein 0.0153 0.0222 1
Schistosoma mansoni protein kinase 0.0034 0.0024 0.0024
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0031 0.1279
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.0031 0.0031
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0022 0.0022
Plasmodium falciparum calcium-dependent protein kinase 3 0.0034 0.0024 0.0034
Brugia malayi beta-lactamase family protein 0.0039 0.0031 0.0023
Trypanosoma brucei glucosidase, putative 0.0039 0.0031 0.005
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0181 0.027 0.0569
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0024 0.0035
Leishmania major glucose transporter/membrane transporter D2, putative 0.0035 0.0024 0.0035
Toxoplasma gondii protein kinase, putative 0.0317 0.0498 0.1063
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0034 0.0024 0.0022
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.0032 0.0052
Toxoplasma gondii isocitrate dehydrogenase 0.0033 0.0022 0.003
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0033 0.0022 0.003
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0031 0.005
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0034 0.0024 0.0034
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.006 0.0053
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0127 0.0179 0.0178
Trypanosoma cruzi hexose transporter 0.0035 0.0024 0.0035
Echinococcus granulosus thymidylate synthase 0.0321 0.0504 0.0504
Brugia malayi Bromodomain containing protein 0.004 0.0033 0.0025
Entamoeba histolytica protein kinase, putative 0.0034 0.0024 0.6763
Loa Loa (eye worm) hypothetical protein 0.0042 0.0037 0.0035
Schistosoma mansoni hypothetical protein 0.0112 0.0154 0.0154
Brugia malayi beta-lactamase 0.0039 0.0031 0.0023
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0034 0.0024 0.0034
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0112 0.0154 0.0154
Brugia malayi Glycosyl hydrolases family 31 protein 0.0175 0.026 0.0252
Echinococcus granulosus calcium dependent protein kinase 0.0032 0.002 0.002
Plasmodium vivax CDK-related protein kinase 6, putative 0.0477 0.0766 0.1642
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.0032 0.0052
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0033 0.0022 0.002
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0033 0.0022 0.003
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0039 0.0031 0.0029
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0039 0.0031 0.0029
Echinococcus granulosus geminin 0.0358 0.0567 0.0567
Loa Loa (eye worm) dihydrofolate reductase 0.5982 1 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.2776 0.4622 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0175 0.026 0.026
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0024 0.0983
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0.0031 0.005
Trypanosoma brucei glucose transporter 1E 0.0035 0.0024 0.0035
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0034 0.0024 0.0024
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0039 0.0031 0.0029
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0321 0.0504 0.0503
Echinococcus granulosus lysyl tRNA synthetase 0.0025 0.0008 0.0008
Schistosoma mansoni alpha-glucosidase 0.0151 0.0219 0.0219
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0034 0.0022 0.0022
Echinococcus multilocularis dihydrofolate reductase 0.5982 1 1
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0034 0.0022 0.6258
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.006 0.006
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0033 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0056 0.006 0.0059
Onchocerca volvulus 0.005 0.0049 0.0384
Echinococcus multilocularis isocitrate dehydrogenase 0.0033 0.0022 0.0022
Echinococcus multilocularis lysosomal alpha glucosidase 0.0175 0.026 0.026
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.0154 0.6911
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0031 0.005
Loa Loa (eye worm) hypothetical protein 0.005 0.0049 0.0047
Loa Loa (eye worm) MBCTL1 0.0056 0.006 0.0059
Trypanosoma brucei glucose transporter, putative 0.0035 0.0024 0.0035
Giardia lamblia Prolyl-tRNA synthetase 0.0034 0.0022 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0031 0.1291
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0175 0.026 0.0258
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0034 0.0024 0.0016
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0049 0.0049
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0195 0.0293 0.0293
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0034 0.0024 0.0024
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0031 0.005
Loa Loa (eye worm) hypothetical protein 0.0027 0.0012 0.001
Plasmodium vivax calcium-dependent protein kinase, putative 0.0034 0.0024 0.0034
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.0154 0.0154
Leishmania major hypothetical protein, conserved 0.0039 0.0031 0.005
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.0032 0.0052
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0031 0.1279
Brugia malayi Bromodomain containing protein 0.0078 0.0097 0.0089
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0031 0.0031
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0024 0.0035
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0049 0.0049
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0033 0.0022 0.003
Leishmania major alpha glucosidase II subunit, putative 0.0039 0.0031 0.005
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0024 0.0024
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.2776 0.4622 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0028 0.0028
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0049 0.0049
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0031 0.1291
Trypanosoma brucei glucose transporter, putative 0.0035 0.0024 0.0035
Schistosoma mansoni alpha-glucosidase 0.0151 0.0219 0.0219
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0031 0.005
Brugia malayi beta-lactamase family protein 0.0039 0.0031 0.0023
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.0008 0.0008
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0033 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0127 0.0179 0.0178
Schistosoma mansoni hypothetical protein 0.0358 0.0567 0.0567
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.5982 1 1
Schistosoma mansoni glucose transport protein 0.0112 0.0154 0.0154
Trichomonas vaginalis glucose transporter, putative 0.0035 0.0024 0.0983
Trypanosoma brucei glucose transporter, putative 0.0035 0.0024 0.0035
Onchocerca volvulus 0.0101 0.0136 0.2217
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.5982 1 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.006 0.006
Brugia malayi Cam kinase protein 1 0.0034 0.0024 0.0016
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.0031 0.0023
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.0022 0.0022
Onchocerca volvulus Huntingtin homolog 0.0127 0.0179 0.3136
Toxoplasma gondii isocitrate dehydrogenase 0.0033 0.0022 0.003
Brugia malayi hypothetical protein 0.0153 0.0222 0.0214
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0031 0.1279
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0024 0.0983
Toxoplasma gondii ABC1 family protein 0.0039 0.0031 0.005
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0022 0.0022
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0321 0.0504 0.0503
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0031 0.1291
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.0154 0.0154
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0112 0.0154 0.0154
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0031 0.0031
Plasmodium falciparum calcium-dependent protein kinase 2 0.0034 0.0024 0.0034
Mycobacterium tuberculosis Conserved protein 0.0039 0.0031 0.0029
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0031 0.0029
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0247 0.0381 0.0379
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0031 0.0029
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0024 0.0024
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0033 0.0022 0.003
Plasmodium falciparum proline--tRNA ligase 0.0039 0.0032 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0024 0.0983
Trichomonas vaginalis CAMK family protein kinase 0.0034 0.0024 0.095
Mycobacterium ulcerans thymidylate synthase 0.0321 0.0504 0.0497
Loa Loa (eye worm) hypothetical protein 0.0034 0.0024 0.0022
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0034 0.0022 0.0896
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0031 1
Trichomonas vaginalis glucose transporter, putative 0.0035 0.0024 0.0983
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.5982 1 1
Echinococcus multilocularis geminin 0.0358 0.0567 0.0567
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0034 0.0022 0.0014
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.0031 0.0031
Leishmania major glucose transporter, lmgt3 0.0035 0.0024 0.0035
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0031 0.1279
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.0008 0.0008
Mycobacterium ulcerans beta-lactamase 0.0039 0.0031 0.0023
Schistosoma mansoni hypothetical protein 0.0021 0.0002 0.0002
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0034 0.0022 0.0014
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0034 0.0024 0.0034
Schistosoma mansoni protein kinase 0.0034 0.0024 0.0024
Echinococcus multilocularis lysyl tRNA synthetase 0.0025 0.0008 0.0008
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0031 0.0029
Loa Loa (eye worm) hypothetical protein 0.0039 0.0031 0.0029
Plasmodium falciparum protein kinase 7 0.0317 0.0498 0.1063
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0031 0.0023
Schistosoma mansoni hypothetical protein 0.0358 0.0567 0.0567
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0024 0.0035
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0031 0.0029
Schistosoma mansoni alpha glucosidase 0.0039 0.0031 0.0031
Brugia malayi Isocitrate dehydrogenase 0.0033 0.0022 0.0014
Brugia malayi mbt repeat family protein 0.005 0.0049 0.0041
Loa Loa (eye worm) hypothetical protein 0.0039 0.0031 0.0029
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0025 0.0008 0.0006
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.2776 0.4622 1
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0024 0.0983
Plasmodium falciparum calcium-dependent protein kinase 4 0.0034 0.0024 0.0034
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0112 0.0154 0.0154
Chlamydia trachomatis dihydrofolate reductase 0.5982 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0031 0.1291
Leishmania major glucose transporter, lmgt2 0.0035 0.0024 0.0035
Onchocerca volvulus Huntingtin homolog 0.0127 0.0179 0.3136
Trypanosoma brucei glucose transporter, putative 0.0035 0.0024 0.0035
Loa Loa (eye worm) thymidylate synthase 0.0321 0.0504 0.0503
Plasmodium falciparum calcium-dependent protein kinase 1 0.0034 0.0024 0.0034
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0039 0.0032 0.0052
Mycobacterium leprae Probable lipase LipE 0.0039 0.0031 0.0029
Echinococcus granulosus General substrate transporter 0.0097 0.0128 0.0128
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0024 0.0035
Onchocerca volvulus 0.0321 0.0504 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.2776 0.4622 1
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0049 0.0047
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0039 0.0032 0.0052
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.0154 0.0154
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0031 0.005
Echinococcus granulosus dihydrofolate reductase 0.5982 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0031 0.1279
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0031 0.0029
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0024 0.0035
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0031 0.0023
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0031 0.0029
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0025 0.0008 0.0006
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0031 0.0029
Loa Loa (eye worm) isocitrate dehydrogenase 0.0033 0.0022 0.002
Loa Loa (eye worm) beta-lactamase 0.0039 0.0031 0.0029
Toxoplasma gondii facilitative glucose transporter GT1 0.0112 0.0154 0.0317
Brugia malayi isocitrate dehydrogenase 0.0033 0.0022 0.0014
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.007 0.007
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.006 0.006
Brugia malayi thymidylate synthase 0.0321 0.0504 0.0497
Loa Loa (eye worm) hypothetical protein 0.0039 0.0031 0.0029
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0031 0.1291
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0195 0.0293 0.0293
Schistosoma mansoni hypothetical protein 0.0301 0.0471 0.0471
Trichomonas vaginalis esterase, putative 0.0039 0.0031 0.1279
Mycobacterium tuberculosis Conserved protein 0.0039 0.0031 0.0029
Schistosoma mansoni protein kinase 0.0034 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0034 0.0022 0.0021
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.007 0.007
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0022 0.003

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 200 uM Cytotoxicity against human HeLa cells by MTT assay ChEMBL. 18952426
IC50 (functional) > 200 uM Cytotoxicity against human Bel7402 cells by MTT assay ChEMBL. 18952426
IC50 (functional) > 200 uM Cytotoxicity against human BGC823 cells by MTT assay ChEMBL. 18952426
IC50 (functional) > 200 uM Cytotoxicity against human HepG2 cells by MTT assay ChEMBL. 18952426
IC50 (functional) > 200 uM Cytotoxicity against human A549 cells by MTT assay ChEMBL. 18952426
IC50 (functional) > 200 uM Cytotoxicity against human A375 cells by MTT assay ChEMBL. 18952426
IC50 (functional) > 200 uM Cytotoxicity against human HT-29 cells by MTT assay ChEMBL. 18952426
IC50 (functional) > 200 uM Cytotoxicity against human 769-P cells by MTT assay ChEMBL. 18952426
IC50 (functional) > 200 uM Cytotoxicity against human KB cells by MTT assay ChEMBL. 18952426

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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