Detailed information for compound 783621

Basic information

Technical information
  • TDR Targets ID: 783621
  • Name: N-(3-cyanophenyl)-5-methyl-4-oxothieno[4,5-c] quinoline-2-carboxamide
  • MW: 359.401 | Formula: C20H13N3O2S
  • H donors: 1 H acceptors: 3 LogP: 3.25 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cccc(c1)NC(=O)c1cc2c(s1)c1ccccc1n(c2=O)C
  • InChi: 1S/C20H13N3O2S/c1-23-16-8-3-2-7-14(16)18-15(20(23)25)10-17(26-18)19(24)22-13-6-4-5-12(9-13)11-21/h2-10H,1H3,(H,22,24)
  • InChiKey: RUPLOMOBROZITG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-cyanophenyl)-5-methyl-4-oxo-thieno[4,5-c]quinoline-2-carboxamide
  • N-(3-cyanophenyl)-5-methyl-4-oxo-2-thieno[4,5-c]quinolinecarboxamide
  • N-(3-cyanophenyl)-4-keto-5-methyl-thieno[4,5-c]quinoline-2-carboxamide
  • C498-0668
  • NCGC00108720-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
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 granulosus insulin growth factor binding 0.0023 0.0002 0.0001
Brugia malayi Immunoglobulin I-set domain containing protein 0.0045 0.0043 0.0145
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.024 0.0398 0.1248
Echinococcus granulosus leucine rich repeat containing protein 4 0.0023 0.0002 0.0001
Schistosoma mansoni titin 0.0023 0.0002 0.0001
Brugia malayi Fibronectin type III domain containing protein 0.0214 0.035 0.1171
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0117 0.0173 0.0245
Loa Loa (eye worm) cytochrome P450 family protein 0.0395 0.068 0.2273
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.024 0.0398 0.5
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0023 0.0002 0.0008
Loa Loa (eye worm) cytochrome P450 0.024 0.0398 0.1328
Echinococcus granulosus neuroglian 0.0233 0.0386 0.0549
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0026 0.0009 0.0029
Giardia lamblia Kinase, PLK 0.1666 0.2993 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0065 0.0079 0.0265
Echinococcus multilocularis dual specificity testis specific protein kinase 0.0037 0.0027 0.0037
Trichomonas vaginalis AGC family protein kinase 0.0594 0.1041 0.3479
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0042 0.0037 0.0123
Onchocerca volvulus Tyrosine kinase homolog 0.1068 0.1904 0.6362
Loa Loa (eye worm) hypothetical protein 0.0045 0.0043 0.0145
Loa Loa (eye worm) hypothetical protein 0.0033 0.0021 0.007
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.0021 0.007
Leishmania major cytochrome p450-like protein 0.0395 0.068 0.2202
Brugia malayi Pre-SET motif family protein 0.0237 0.0392 0.1309
Echinococcus granulosus down syndrome cell adhesion 0.0023 0.0002 0.0001
Onchocerca volvulus 0.0023 0.0002 0.0008
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.024 0.0398 0.5
Schistosoma mansoni ephrin receptor 0.0025 0.0006 0.0004
Echinococcus multilocularis neuropeptide s receptor 0.0525 0.0916 0.1308
Brugia malayi CXXC zinc finger family protein 0.0065 0.0079 0.0265
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0045 0.0043 0.0145
Echinococcus multilocularis titin 0.0023 0.0002 0.0001
Leishmania major cytochrome p450-like protein 0.024 0.0398 0.1248
Brugia malayi Disorganized muscle protein 1 0.0023 0.0002 0.0008
Brugia malayi MH2 domain containing protein 0.0136 0.0208 0.0693
Trypanosoma brucei polo-like protein kinase 0.1666 0.2993 1
Brugia malayi serine/threonine-protein kinase plk-2 0.1666 0.2993 1
Echinococcus granulosus titin 0.0023 0.0002 0.0001
Echinococcus granulosus cytochrome P450 2K1 0.024 0.0398 0.0566
Echinococcus granulosus tumor protein p63 0.0408 0.0704 0.1003
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0594 0.1041 0.3419
Loa Loa (eye worm) hypothetical protein 0.0022 0.0002 0.0006
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.024 0.0398 0.5
Onchocerca volvulus 0.1024 0.1824 0.6095
Onchocerca volvulus 0.0035 0.0025 0.0083
Echinococcus granulosus dnaJ subfamily B 0.0927 0.1648 0.2353
Echinococcus multilocularis Immunoglobulin 0.0211 0.0344 0.0489
Trichomonas vaginalis CAMK family protein kinase 0.1666 0.2993 1
Brugia malayi hypothetical protein 0.0306 0.0518 0.1732
Loa Loa (eye worm) hypothetical protein 0.0049 0.005 0.0166
Trichomonas vaginalis AGC family protein kinase 0.0594 0.1041 0.3479
Trichomonas vaginalis CAMK family protein kinase 0.1666 0.2993 1
Echinococcus multilocularis roundabout 2 0.0259 0.0433 0.0616
Loa Loa (eye worm) hypothetical protein 0.0023 0.0002 0.0008
Loa Loa (eye worm) jmjC domain-containing protein 0.0044 0.004 0.0134
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0002 0.0008
Toxoplasma gondii cytochrome p450 superfamily protein 0.024 0.0398 0.3818
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0009 0.0029
Loa Loa (eye worm) hypothetical protein 0.0035 0.0025 0.0083
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0033 0.0021 0.0019
Loa Loa (eye worm) hypothetical protein 0.0023 0.0002 0.0008
Loa Loa (eye worm) hypothetical protein 0.0022 0.0002 0.0006
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0002 0.0008
Brugia malayi Immunoglobulin I-set domain containing protein 0.0045 0.0043 0.0145
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0021 0.02
Brugia malayi Immunoglobulin I-set domain containing protein 0.0045 0.0043 0.0145
Brugia malayi Immunoglobulin I-set domain containing protein 0.0022 0.0002 0.0006
Loa Loa (eye worm) hypothetical protein 0.0026 0.0009 0.0029
Loa Loa (eye worm) hypothetical protein 0.0211 0.0344 0.1151
Echinococcus granulosus nephrin 0.0026 0.0009 0.001
Echinococcus multilocularis neuroglian 0.0233 0.0386 0.0549
Loa Loa (eye worm) hypothetical protein 0.0045 0.0043 0.0145
Brugia malayi Animal haem peroxidase family protein 0.0023 0.0002 0.0008
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.024 0.0398 0.5
Echinococcus granulosus neuropeptide s receptor 0.0525 0.0916 0.1308
Echinococcus multilocularis tyrosine protein kinase otk 0.0045 0.0043 0.0059
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0045 0.0043 0.0059
Schistosoma mansoni cytochrome P450 0.024 0.0398 0.0396
Loa Loa (eye worm) hypothetical protein 0.0214 0.035 0.1171
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.024 0.0398 0.5
Echinococcus granulosus twitchin 0.0249 0.0414 0.0589
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0025 0.0023
Loa Loa (eye worm) hypothetical protein 0.0023 0.0002 0.0008
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.004 0.0038
Brugia malayi Heparan sulfate 0.0022 0.0002 0.0006
Schistosoma mansoni serine/threonine protein kinase 0.1666 0.2993 0.2992
Echinococcus multilocularis 0.024 0.0398 0.0566
Schistosoma mansoni titin 0.0023 0.0002 0.0001
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0044 0.0041 0.0056
Plasmodium falciparum protein kinase, putative 0.0037 0.0027 0.0263
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0117 0.0173 0.0245
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.004 0.0038
Echinococcus granulosus titin 0.0023 0.0002 0.0001
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0063 0.0212
Loa Loa (eye worm) hypothetical protein 0.0023 0.0002 0.0008
Schistosoma mansoni cpg binding protein 0.0069 0.0086 0.0084
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0049 0.005 0.0068
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.024 0.0398 0.5
Echinococcus multilocularis Immunoglobulin 0.0211 0.0344 0.0489
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.024 0.0398 0.1248
Schistosoma mansoni hypothetical protein 0.0023 0.0002 0.0001
Echinococcus granulosus aurora kinase A 0.0594 0.1041 0.1486
Trichomonas vaginalis CAMK family protein kinase 0.1666 0.2993 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0009 0.0029
Brugia malayi hypothetical protein 0.0139 0.0214 0.0715
Schistosoma mansoni protein kinase 0.0037 0.0027 0.0026
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0025 0.0033
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0031 0.0103
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0049 0.005 0.0068
Onchocerca volvulus Peroxidasin homolog 0.0023 0.0003 0.0009
Echinococcus granulosus Immunoglobulin 0.0211 0.0344 0.0489
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0002 0.0008
Echinococcus multilocularis roundabout 2 0.0049 0.005 0.0068
Echinococcus multilocularis neuroglian 0.0049 0.005 0.0068
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0025 0.0023
Schistosoma mansoni subfamily M23B non-peptidase homologue (M23 family) 0.0023 0.0002 0.0001
Loa Loa (eye worm) hypothetical protein 0.006 0.007 0.0232
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.024 0.0398 0.5
Schistosoma mansoni titin 0.0023 0.0002 0.0001
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.0021 0.0027
Loa Loa (eye worm) hypothetical protein 0.0211 0.0344 0.1149
Schistosoma mansoni septate junction protein 0.0045 0.0043 0.0042
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0049 0.005 0.0166
Schistosoma mansoni slit 0.0023 0.0003 0.0001
Loa Loa (eye worm) hypothetical protein 0.0256 0.0426 0.1425
Schistosoma mansoni hypothetical protein 0.0927 0.1648 0.1646
Brugia malayi kettin 0.0023 0.0002 0.0008
Brugia malayi Immunoglobulin I-set domain containing protein 0.0038 0.003 0.0099
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.024 0.0398 0.5
Trichomonas vaginalis AGC family protein kinase 0.0594 0.1041 0.3479
Schistosoma mansoni cell adhesion molecule 0.0026 0.0009 0.0007
Brugia malayi hypothetical protein 0.0022 0.0002 0.0006
Onchocerca volvulus 0.0026 0.0009 0.0029
Schistosoma mansoni cell adhesion molecule 0.0045 0.0043 0.0042
Echinococcus multilocularis hemicentin 1 0.0045 0.0043 0.0059
Brugia malayi Immunoglobulin I-set domain containing protein 0.0049 0.005 0.0166
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0026 0.0009 0.0029
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0008 0.0027
Loa Loa (eye worm) hypothetical protein 0.0023 0.0002 0.0008
Brugia malayi Immunoglobulin I-set domain containing protein 0.0049 0.005 0.0166
Schistosoma mansoni hypothetical protein 0.0033 0.0021 0.0019
Loa Loa (eye worm) LAD-2 short isoform 0.0022 0.0002 0.0006
Loa Loa (eye worm) hypothetical protein 0.0022 0.0002 0.0006
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0025 0.0006 0.0006
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0237 0.0392 0.1309
Trichomonas vaginalis CAMK family protein kinase 0.1666 0.2993 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0023 0.0002 0.0008
Onchocerca volvulus 0.0023 0.0002 0.0008
Brugia malayi PHD-finger family protein 0.0033 0.0021 0.007
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0023 0.0002 0.0008
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.0021 0.0027
Trichomonas vaginalis set domain proteins, putative 0.0269 0.0451 0.1506
Loa Loa (eye worm) AUR protein kinase 0.0594 0.1041 0.3479
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0049 0.005 0.0048
Schistosoma mansoni cell adhesion molecule 0.0237 0.0391 0.039
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.024 0.0398 0.5
Brugia malayi serine/threonine-protein kinase 6 0.0594 0.1041 0.3479
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.024 0.0398 0.5
Echinococcus granulosus peregrin 0.0033 0.0021 0.0027
Echinococcus granulosus neuropeptide receptor A26 0.0525 0.0916 0.1308
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0038 0.003 0.0099
Schistosoma mansoni nephrin 0.0049 0.005 0.0048
Loa Loa (eye worm) hypothetical protein 0.0023 0.0002 0.0008
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0026 0.0008 0.0009
Echinococcus multilocularis 0.0023 0.0002 0.0001
Brugia malayi basement membrane proteoglycan precursor 0.0022 0.0002 0.0006
Giardia lamblia Aurora kinase 0.0594 0.1041 0.3434
Schistosoma mansoni protein kinase 0.0037 0.0027 0.0026
Echinococcus granulosus dual specificity testis-specific protein kinase 0.0037 0.0027 0.0037
Brugia malayi Immunoglobulin domain containing protein 0.0022 0.0002 0.0006
Schistosoma mansoni cell adhesion molecule 0.0049 0.005 0.0048
Echinococcus multilocularis pro neuregulin 2, membrane bound 0.0023 0.0002 0.0001
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0002 0.0007
Onchocerca volvulus 0.0023 0.0002 0.0008
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0063 0.0212
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.024 0.0398 0.5
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0021 0.02
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0025 0.0239
Trichomonas vaginalis CAMK family protein kinase 0.1666 0.2993 1
Echinococcus multilocularis hemicentin 1 0.0045 0.0043 0.0059
Brugia malayi Cytochrome P450 family protein 0.0395 0.068 0.2273
Brugia malayi Cytochrome P450 family protein 0.0917 0.1629 0.5443
Brugia malayi Immunoglobulin I-set domain containing protein 0.0022 0.0002 0.0006
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.024 0.0398 0.5
Plasmodium vivax SET domain protein, putative 0.0035 0.0025 0.0239
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0002 0.0008
Echinococcus granulosus cpg binding protein 0.0069 0.0086 0.012
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.1666 0.2993 1
Plasmodium falciparum phd finger protein, putative 0.0033 0.0021 0.02
Echinococcus multilocularis activin receptor type 0.0037 0.0027 0.0037
Brugia malayi Immunoglobulin I-set domain containing protein 0.0042 0.0037 0.0123
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0025 0.0023
Echinococcus multilocularis lachesin 0.0045 0.0043 0.0059
Echinococcus granulosus titin 0.0023 0.0002 0.0001
Onchocerca volvulus 0.0026 0.0009 0.0029
Schistosoma mansoni hypothetical protein 0.0023 0.0002 0.0001
Schistosoma mansoni tyrosine kinase 0.0066 0.0082 0.008
Schistosoma mansoni titin 0.0026 0.0009 0.0007
Toxoplasma gondii histone lysine methyltransferase SET1 0.0125 0.0187 0.18
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.024 0.0398 0.5
Brugia malayi Myb-like DNA-binding domain containing protein 0.0023 0.0002 0.0008
Schistosoma mansoni cell adhesion molecule 0.0023 0.0002 0.0001
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.024 0.0398 0.1248
Brugia malayi Wrapper/rega-1/klingon homolog protein 1 0.0023 0.0002 0.0008
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0044 0.0041 0.0056
Schistosoma mansoni nephrin 0.0237 0.0392 0.039
Echinococcus multilocularis twitchin 0.0038 0.003 0.0041
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0025 0.0023
Schistosoma mansoni hypothetical protein 0.0023 0.0002 0.0001
Loa Loa (eye worm) hypothetical protein 0.0214 0.035 0.1171
Echinococcus multilocularis insulin growth factor binding 0.0023 0.0002 0.0001
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0026 0.0008 0.0009
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.1666 0.2993 1
Echinococcus granulosus neuroglian 0.0049 0.005 0.0068
Schistosoma mansoni septate junction protein 0.0045 0.0043 0.0042
Brugia malayi Immunoglobulin I-set domain containing protein 0.0045 0.0043 0.0145
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0025 0.0006 0.0006
Loa Loa (eye worm) one IG domain family member 0.0023 0.0002 0.0008
Echinococcus granulosus fibroblast growth factor receptor 4 0.0117 0.0173 0.0245
Loa Loa (eye worm) hypothetical protein 0.0023 0.0002 0.0008
Echinococcus multilocularis cpg binding protein 0.0069 0.0086 0.012
Loa Loa (eye worm) projectin 0.0026 0.0009 0.0029
Trichomonas vaginalis CAMK family protein kinase 0.1666 0.2993 1
Loa Loa (eye worm) immunoglobulin domain-containing protein 0.0022 0.0002 0.0006
Brugia malayi F/Y-rich N-terminus family protein 0.0032 0.0019 0.0063
Onchocerca volvulus 0.0042 0.0037 0.0123
Brugia malayi serine/threonine protein kinase 6 0.0594 0.1041 0.3479
Echinococcus multilocularis roundabout 2 0.0049 0.005 0.0068
Echinococcus granulosus tyrosine protein kinase Lyn 0.0037 0.0027 0.0037
Loa Loa (eye worm) hypothetical protein 0.0057 0.0064 0.0213
Onchocerca volvulus 0.0023 0.0002 0.0008
Brugia malayi protein unc-22 0.0042 0.0037 0.0123
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0045 0.0043 0.0042
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.024 0.0398 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.1278 0.2287 0.764
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0064 0.0078 0.0259
Schistosoma mansoni cpg binding protein 0.0065 0.0079 0.0077
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0028 0.0012 0.001
Schistosoma mansoni neuroglian 0.0049 0.005 0.0048
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0002 0.0008
Schistosoma mansoni hypothetical protein 0.0023 0.0002 0.0001
Echinococcus multilocularis peregrin 0.0033 0.0021 0.0027
Trypanosoma brucei aurora B kinase 0.0594 0.1041 0.3419
Loa Loa (eye worm) animal heme peroxidase 0.0023 0.0002 0.0008
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0139 0.0214 0.0213
Schistosoma mansoni protein kinase 0.0594 0.1041 0.104
Schistosoma mansoni cell adhesion molecule 0.0026 0.0009 0.0007
Brugia malayi Cytochrome P450 family protein 0.024 0.0398 0.1328
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0009 0.0029
Schistosoma mansoni roundabout 0.0045 0.0043 0.0042
Brugia malayi Immunoglobulin I-set domain containing protein 0.0022 0.0002 0.0006
Onchocerca volvulus 0.0269 0.0451 0.1506
Onchocerca volvulus Netrin receptor homolog 0.0023 0.0002 0.0008
Schistosoma mansoni titin 0.0042 0.0037 0.0035
Loa Loa (eye worm) hypothetical protein 0.0022 0.0002 0.0006
Echinococcus granulosus pro neuregulin 2 membrane bound 0.0023 0.0002 0.0001
Toxoplasma gondii aurora kinase 0.0594 0.1041 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0045 0.0043 0.0145
Brugia malayi Peroxidasin 0.0046 0.0044 0.0146
Brugia malayi Prion-like- 0.0023 0.0002 0.0008
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0049 0.005 0.0068
Onchocerca volvulus 0.006 0.007 0.0232
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0026 0.0008 0.0027
Schistosoma mansoni serine/threonine protein kinase 0.0594 0.1041 0.104
Schistosoma mansoni serine/threonine protein kinase 0.0042 0.0037 0.0035
Onchocerca volvulus Putative titin 0.0023 0.0002 0.0008
Schistosoma mansoni hypothetical protein 0.0023 0.0002 0.0001
Echinococcus multilocularis aurora kinase A 0.0594 0.1041 0.1486
Brugia malayi Immunoglobulin I-set domain containing protein 0.0045 0.0043 0.0145
Brugia malayi Immunoglobulin I-set domain containing protein 0.0049 0.005 0.0166
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0002 0.0008
Echinococcus granulosus titin 0.0042 0.0037 0.005
Trypanosoma cruzi aurora B kinase, putative 0.0594 0.1041 0.3419
Brugia malayi cytochrome P450 0.024 0.0398 0.1328
Echinococcus granulosus lysine specific demethylase 5A 0.0044 0.004 0.0055
Trypanosoma cruzi cytochrome p450-like protein, putative 0.024 0.0398 0.1248
Brugia malayi Immunoglobulin I-set domain containing protein 0.0214 0.035 0.1171
Brugia malayi hypothetical protein 0.0214 0.035 0.1171
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0211 0.0344 0.0342
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.0208 0.0693
Echinococcus multilocularis titin 0.0023 0.0002 0.0001
Brugia malayi Bromodomain containing protein 0.0033 0.0021 0.007
Leishmania major lanosterol 14-alpha-demethylase, putative 0.024 0.0398 0.1248
Onchocerca volvulus Alhambra homolog 0.0033 0.0021 0.007
Loa Loa (eye worm) hypothetical protein 0.0139 0.0214 0.0715
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.024 0.0398 0.5
Echinococcus granulosus hemicentin 1 0.0045 0.0043 0.0059
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0026 0.0009 0.0029
Echinococcus granulosus titin 0.0042 0.0037 0.005
Entamoeba histolytica protein kinase, putative 0.0594 0.1041 0.3419
Loa Loa (eye worm) hypothetical protein 0.0056 0.0063 0.0212
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.002 0.0026
Mycobacterium leprae Conserved hypothetical protein 0.024 0.0398 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.1666 0.2993 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0594 0.1041 1
Loa Loa (eye worm) AUR protein kinase 0.0594 0.1041 0.3479
Echinococcus granulosus roundabout 2 0.0049 0.005 0.0068
Loa Loa (eye worm) hypothetical protein 0.0045 0.0043 0.0145
Loa Loa (eye worm) hypothetical protein 0.0039 0.0031 0.0103
Loa Loa (eye worm) hypothetical protein 0.0023 0.0002 0.0008
Brugia malayi Immunoglobulin I-set domain containing protein 0.1278 0.2287 0.764
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.0208 0.0693
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.024 0.0398 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0025 0.0033
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0211 0.0344 0.0489
Onchocerca volvulus 0.0023 0.0002 0.0008
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0594 0.1041 0.1486
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.3865 0.6996 1
Schistosoma mansoni hemicentin 0.0026 0.0009 0.0007
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.024 0.0398 0.5
Schistosoma mansoni tyrosine kinase 0.0117 0.0173 0.0171
Brugia malayi Prion-like- 0.0045 0.0043 0.0145
Trichomonas vaginalis AGC family protein kinase 0.0594 0.1041 0.3479
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0009 0.0029
Onchocerca volvulus Serine\/threonine kinase homolog 0.1666 0.2993 1
Schistosoma mansoni jumonji domain containing protein 0.0086 0.0117 0.0115
Loa Loa (eye worm) hypothetical protein 0.0155 0.0244 0.0814
Entamoeba histolytica protein kinase, putative 0.0594 0.1041 0.3419
Entamoeba histolytica serine/threonine protein kinase, putative 0.1666 0.2993 1
Echinococcus granulosus roundabout 2 0.0049 0.005 0.0068
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0594 0.1041 0.1486
Onchocerca volvulus 0.0023 0.0002 0.0008
Brugia malayi Immunoglobulin I-set domain containing protein 0.0045 0.0043 0.0145
Echinococcus multilocularis Opioid binding protein:cell adhesion molecule 0.0023 0.0002 0.0001
Echinococcus granulosus contactin 0.0049 0.005 0.0068
Loa Loa (eye worm) hypothetical protein 0.0139 0.0214 0.0715
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0023 0.0002 0.0008
Brugia malayi Immunoglobulin I-set domain containing protein 0.0139 0.0214 0.0716
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0233 0.0385 0.0548
Mycobacterium leprae putative cytochrome p450 0.024 0.0398 0.5
Brugia malayi basement membrane proteoglycan 0.0022 0.0002 0.0006
Loa Loa (eye worm) hypothetical protein 0.0023 0.0002 0.0008
Leishmania major protein kinase, putative 0.0594 0.1041 0.3419
Schistosoma mansoni hypothetical protein 0.0023 0.0002 0.0001
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.1666 0.2993 0.4277
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0049 0.005 0.0068
Echinococcus multilocularis dnaJ subfamily B 0.0927 0.1648 0.2353
Loa Loa (eye worm) hypothetical protein 0.0256 0.0426 0.1425
Loa Loa (eye worm) hypothetical protein 0.0023 0.0002 0.0008
Echinococcus multilocularis tumor protein p63 0.0408 0.0704 0.1003
Echinococcus granulosus roundabout 2 0.0259 0.0433 0.0616
Loa Loa (eye worm) TK protein kinase 0.0139 0.0214 0.0716
Echinococcus multilocularis titin 0.0023 0.0002 0.0001
Echinococcus granulosus jumonji domain containing protein 0.0046 0.0044 0.0061
Loa Loa (eye worm) hypothetical protein 0.0023 0.0002 0.0008
Entamoeba histolytica protein kinase , putative 0.0594 0.1041 0.3419
Loa Loa (eye worm) hypothetical protein 0.0023 0.0002 0.0008
Loa Loa (eye worm) disorganized muscle protein 1 0.0023 0.0002 0.0008
Onchocerca volvulus Peroxidasin homolog 0.0023 0.0002 0.0008
Brugia malayi Immunoglobulin domain containing protein 0.0022 0.0002 0.0006
Onchocerca volvulus 0.0023 0.0002 0.0008
Schistosoma mansoni protein kinase 0.0037 0.0027 0.0026
Brugia malayi Prion-like- 0.0023 0.0002 0.0008
Loa Loa (eye worm) hypothetical protein 0.0022 0.0002 0.0006
Schistosoma mansoni vesicular amine transporter 0.0211 0.0344 0.0342
Loa Loa (eye worm) hypothetical protein 0.0045 0.0043 0.0145
Schistosoma mansoni hypothetical protein 0.0039 0.0031 0.0029
Loa Loa (eye worm) hypothetical protein 0.0026 0.0009 0.0029
Onchocerca volvulus 0.0065 0.0079 0.0265
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.3865 0.6996 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0211 0.0344 0.0342
Brugia malayi Immunoglobulin domain containing protein 0.0022 0.0002 0.0006
Loa Loa (eye worm) AUR protein kinase 0.0594 0.1041 0.3479
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0002 0.0008
Loa Loa (eye worm) TK/ROR protein kinase 0.0044 0.0041 0.0137
Brugia malayi Prion-like- 0.0023 0.0002 0.0008
Loa Loa (eye worm) hypothetical protein 0.0023 0.0002 0.0008
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0395 0.068 1
Echinococcus granulosus peroxidasin 0.0046 0.0044 0.006
Loa Loa (eye worm) hypothetical protein 0.0211 0.0344 0.1149
Trypanosoma cruzi cytochrome P450, putative 0.0395 0.068 0.2202
Trypanosoma cruzi polo-like protein kinase, putative 0.1666 0.2993 1
Schistosoma mansoni myosin-binding protein-related 0.0026 0.0009 0.0007
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0021 0.02
Loa Loa (eye worm) hypothetical protein 0.0046 0.0044 0.0146
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0037 0.0027 0.0263
Echinococcus granulosus activin receptor type 0.0037 0.0027 0.0037
Echinococcus multilocularis down syndrome cell adhesion 0.0023 0.0002 0.0001
Echinococcus granulosus defective proboscis extension response 0.0211 0.0344 0.0489
Schistosoma mansoni cpg binding protein 0.0069 0.0086 0.0084
Brugia malayi Pre-SET motif family protein 0.0035 0.0025 0.0083
Schistosoma mansoni titin 0.0023 0.0002 0.0001
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0063 0.0212
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0049 0.005 0.0068
Echinococcus granulosus Opioid binding protein:cell adhesion molecule 0.0023 0.0002 0.0001
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0594 0.1041 1
Onchocerca volvulus Huntingtin homolog 0.0139 0.0214 0.0715
Entamoeba histolytica protein kinase domain containing protein 0.0594 0.1041 0.3419
Loa Loa (eye worm) CAMK protein kinase 0.0042 0.0037 0.0123
Trypanosoma brucei cytochrome P450, putative 0.0395 0.068 0.2202
Loa Loa (eye worm) cytochrome P450 family protein 0.0917 0.1629 0.5443
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0009 0.0029
Echinococcus multilocularis titin 0.0042 0.0037 0.005
Schistosoma mansoni hypothetical protein 0.0026 0.0009 0.0007
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.024 0.0398 0.5
Schistosoma mansoni titin 0.0023 0.0002 0.0001
Schistosoma mansoni serine/threonine protein kinase 0.0038 0.003 0.0029
Echinococcus granulosus lachesin 0.0045 0.0043 0.0059
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.0044 0.0061
Echinococcus granulosus serine:threonine protein kinase PLK1 0.1666 0.2993 0.4277
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0026 0.0009 0.001
Onchocerca volvulus 0.0023 0.0003 0.0009
Loa Loa (eye worm) hypothetical protein 0.0045 0.0043 0.0145
Trypanosoma cruzi cytochrome P450, putative 0.0395 0.068 0.2202
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.024 0.0398 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0395 0.068 0.2273
Schistosoma mansoni cellular tumor antigen P53 0.006 0.007 0.0068
Echinococcus granulosus leucine rich repeats and immunoglobulin 0.0023 0.0003 0.0001
Echinococcus multilocularis neuropeptide receptor A26 0.0525 0.0916 0.1308
Loa Loa (eye worm) hypothetical protein 0.0023 0.0002 0.0008
Schistosoma mansoni nephrin related 0.0023 0.0002 0.0001
Echinococcus multilocularis leucine rich repeats and immunoglobulin 0.0023 0.0003 0.0001
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0002 0.0008
Trichomonas vaginalis CAMK family protein kinase 0.1666 0.2993 1
Schistosoma mansoni cell adhesion molecule 0.0049 0.005 0.0048
Loa Loa (eye worm) hypothetical protein 0.0023 0.0002 0.0008
Brugia malayi serine/threonine kinase 12 0.0594 0.1041 0.3479
Loa Loa (eye worm) hypothetical protein 0.0233 0.0385 0.1286
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0025 0.0033
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0002 0.0008
Echinococcus multilocularis peroxidasin 0.0046 0.0044 0.006
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0002 0.0008
Schistosoma mansoni titin 0.0045 0.0043 0.0042
Loa Loa (eye worm) hypothetical protein 0.0023 0.0002 0.0008
Loa Loa (eye worm) hypothetical protein 0.0045 0.0043 0.0145
Loa Loa (eye worm) CYP4Cod1 0.0395 0.068 0.2273
Echinococcus granulosus tyrosine protein kinase otk 0.0045 0.0043 0.0059
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0108 0.0157 0.0222
Loa Loa (eye worm) hypothetical protein 0.0306 0.0518 0.1732
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0108 0.0157 0.0222
Onchocerca volvulus Huntingtin homolog 0.0139 0.0214 0.0715
Echinococcus multilocularis lysine specific demethylase 5A 0.004 0.0033 0.0045
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.024 0.0398 0.5
Brugia malayi Leucine Rich Repeat family protein 0.0023 0.0003 0.0009
Brugia malayi jmjC domain containing protein 0.0044 0.004 0.0134
Brugia malayi jmjC domain containing protein 0.0108 0.0157 0.0526
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0009 0.0029
Brugia malayi Cytochrome P450 family protein 0.0395 0.068 0.2273
Schistosoma mansoni hypothetical protein 0.024 0.0398 0.0396
Echinococcus multilocularis transfer RNA-Phe 0.0026 0.0009 0.001
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0045 0.0043 0.0145
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0002 0.0008
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0594 0.1041 0.3419
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.0085 0.0283
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0117 0.0173 0.0245
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0594 0.1041 0.3419
Loa Loa (eye worm) hypothetical protein 0.0214 0.035 0.1171
Leishmania major cytochrome p450-like protein 0.024 0.0398 0.1248

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0708 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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