Detailed information for compound 1589699

Basic information

Technical information
  • TDR Targets ID: 1589699
  • Name: methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylm ethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1 ,3-thiazolidin-5-ylidene]acetate
  • MW: 409.415 | Formula: C20H15N3O5S
  • H donors: 1 H acceptors: 4 LogP: 1.88 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C/C(=c/1\s/c(=C/C(=O)OC)/c(=O)n1c1ccccc1)/C(=O)NCc1ccco1
  • InChi: 1S/C20H15N3O5S/c1-27-17(24)10-16-19(26)23(13-6-3-2-4-7-13)20(29-16)15(11-21)18(25)22-12-14-8-5-9-28-14/h2-10H,12H2,1H3,(H,22,25)/b16-10+,20-15+
  • InChiKey: SGKQXRXCSRWKCS-NWNFKSAJSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl (2E)-2-[(2E)-2-[1-cyano-2-(2-furylmethylamino)-2-oxo-ethylidene]-4-oxo-3-phenyl-thiazolidin-5-ylidene]acetate
  • (2E)-2-[(2E)-2-[1-cyano-2-(2-furylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-5-thiazolidinylidene]acetic acid methyl ester
  • (2E)-2-[(2E)-2-[1-cyano-2-(2-furylmethylamino)-2-keto-ethylidene]-4-keto-3-phenyl-thiazolidin-5-ylidene]acetic acid methyl ester
  • methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxo-ethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]ethanoate
  • STOCK3S-63716
  • ZINC02223074

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
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
Schistosoma mansoni hypothetical protein 0.0041 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0045 0.0023 0.0044
Loa Loa (eye worm) hypothetical protein 0.0194 0.0352 0.1156
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0207 0.0381 0.5502
Brugia malayi Prion-like- 0.0041 0.0013 0.0011
Loa Loa (eye worm) hypothetical protein 0.0208 0.0384 0.1267
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0207 0.0381 0.5502
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0207 0.0381 0.6977
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0207 0.0381 0.6977
Schistosoma mansoni cell adhesion molecule 0.0045 0.0023 0.0023
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0056 0.0158
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0207 0.0381 0.6977
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0045 0.0023 0.0019
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0207 0.0381 0.5502
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0207 0.0381 0.5502
Trichomonas vaginalis CAMK family protein kinase 0.1375 0.2968 1
Trypanosoma cruzi aurora B kinase, putative 0.0568 0.118 0.3937
Brugia malayi hypothetical protein 0.0194 0.0352 0.1156
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.004 0.0012 0.0008
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0041 0.0014 0.0007
Trichomonas vaginalis CAMK family protein kinase 0.1375 0.2968 1
Onchocerca volvulus Tyrosine kinase homolog 0.0914 0.1947 0.655
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0019 0.0019
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0058 0.0052 0.0144
Echinococcus granulosus neuroglian 0.0211 0.0389 0.0545
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0207 0.0381 0.5502
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0045 0.0023 0.0023
Schistosoma mansoni roundabout 0.0041 0.0013 0.0013
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.1375 0.2968 0.4249
Onchocerca volvulus 0.0043 0.0019 0.0033
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0207 0.0381 0.6977
Trichomonas vaginalis AGC family protein kinase 0.0568 0.118 0.3937
Brugia malayi Peroxidasin 0.0041 0.0014 0.0013
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0538 1
Schistosoma mansoni nephrin 0.0045 0.0023 0.0023
Brugia malayi Immunoglobulin I-set domain containing protein 0.0041 0.0013 0.0011
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0207 0.0381 0.6977
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0041 0.0013 0.0011
Schistosoma mansoni serine/threonine protein kinase 0.1375 0.2968 0.2968
Brugia malayi Immunoglobulin I-set domain containing protein 0.1101 0.2361 0.795
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0207 0.0381 0.5502
Loa Loa (eye worm) hypothetical protein 0.006 0.0056 0.0158
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0041 0.0013 0.0019
Trypanosoma cruzi polo-like protein kinase, putative 0.1375 0.2968 1
Echinococcus granulosus contactin 0.0045 0.0023 0.0019
Echinococcus granulosus roundabout 2 0.0045 0.0023 0.0019
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0207 0.0381 0.5502
Brugia malayi serine/threonine-protein kinase 6 0.0568 0.118 0.3957
Loa Loa (eye worm) hypothetical protein 0.023 0.0432 0.1428
Trypanosoma cruzi cytochrome P450, putative 0.0341 0.0677 0.2231
Schistosoma mansoni tyrosine kinase 0.0138 0.0229 0.0229
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0207 0.0381 0.5502
Schistosoma mansoni serine/threonine protein kinase 0.0568 0.118 0.118
Onchocerca volvulus 0.0873 0.1856 0.6242
Loa Loa (eye worm) cytochrome P450 family protein 0.0827 0.1754 0.5896
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0207 0.0381 0.6977
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0207 0.0381 0.1228
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0207 0.0381 0.1228
Leishmania major protein kinase, putative 0.0568 0.118 0.3937
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0019 0.0028
Schistosoma mansoni septate junction protein 0.0041 0.0013 0.0013
Echinococcus multilocularis Immunoglobulin 0.0189 0.0342 0.049
Trichomonas vaginalis CAMK family protein kinase 0.1375 0.2968 1
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.001 0.001
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0207 0.0381 0.6977
Onchocerca volvulus Serine\/threonine kinase homolog 0.1375 0.2968 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0019 0.0033
Toxoplasma gondii aurora kinase 0.0568 0.118 1
Echinococcus granulosus roundabout 2 0.0045 0.0023 0.0019
Trypanosoma brucei cytochrome P450, putative 0.0341 0.0677 0.2231
Echinococcus multilocularis peroxidasin 0.0041 0.0014 0.0019
Echinococcus granulosus cytochrome P450 2K1 0.0207 0.0381 0.0533
Echinococcus granulosus hemicentin 1 0.0041 0.0013 0.0005
Echinococcus granulosus tyrosine protein kinase otk 0.0041 0.0013 0.0005
Schistosoma mansoni cell adhesion molecule 0.0041 0.0013 0.0013
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0019 0.0019
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0207 0.0381 0.5502
Loa Loa (eye worm) hypothetical protein 0.0041 0.0013 0.0011
Brugia malayi Cytochrome P450 family protein 0.0341 0.0677 0.2257
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0041 0.0013 0.0011
Echinococcus multilocularis Immunoglobulin 0.0189 0.0342 0.049
Leishmania major cytochrome p450-like protein 0.0341 0.0677 0.2231
Brugia malayi cytochrome P450 0.0207 0.0381 0.1256
Brugia malayi Immunoglobulin I-set domain containing protein 0.0194 0.0352 0.1156
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0207 0.0381 0.5502
Loa Loa (eye worm) hypothetical protein 0.0189 0.0342 0.1124
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0056 0.0158
Loa Loa (eye worm) hypothetical protein 0.0194 0.0352 0.1156
Echinococcus granulosus roundabout 2 0.0234 0.0442 0.0619
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0207 0.0381 0.5502
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0207 0.0381 0.5502
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0056 0.0158
Brugia malayi Immunoglobulin I-set domain containing protein 0.0041 0.0013 0.0011
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0207 0.0381 0.6977
Loa Loa (eye worm) hypothetical protein 0.0041 0.0013 0.0011
Brugia malayi Fibronectin type III domain containing protein 0.0194 0.0352 0.1156
Brugia malayi Cytochrome P450 family protein 0.0341 0.0677 0.2257
Loa Loa (eye worm) hypothetical protein 0.0041 0.0013 0.0011
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0207 0.0381 0.6977
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0207 0.0381 0.5502
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0207 0.0381 0.6977
Onchocerca volvulus 0.0043 0.0019 0.0033
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0207 0.0381 0.5502
Loa Loa (eye worm) hypothetical protein 0.038 0.0765 0.2554
Entamoeba histolytica serine/threonine protein kinase, putative 0.1375 0.2968 1
Brugia malayi beta-lactamase family protein 0.0043 0.0019 0.0033
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0207 0.0381 0.5502
Brugia malayi serine/threonine-protein kinase plk-2 0.1375 0.2968 1
Loa Loa (eye worm) AUR protein kinase 0.0568 0.118 0.3957
Loa Loa (eye worm) hypothetical protein 0.0041 0.0014 0.0015
Echinococcus multilocularis roundabout 2 0.0045 0.0023 0.0032
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0189 0.0342 0.049
Loa Loa (eye worm) CYP4Cod1 0.0341 0.0677 0.2257
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.3189 0.6985 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.1101 0.2361 0.795
Brugia malayi beta-lactamase 0.0043 0.0019 0.0033
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0207 0.0381 0.6977
Schistosoma mansoni tyrosine kinase 0.006 0.0057 0.0057
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0045 0.0023 0.0032
Loa Loa (eye worm) hypothetical protein 0.0043 0.0019 0.0033
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0041 0.0013 0.0013
Echinococcus multilocularis 0.0207 0.0381 0.0546
Brugia malayi serine/threonine protein kinase 6 0.0568 0.118 0.3957
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0045 0.0023 0.0032
Schistosoma mansoni hypothetical protein 0.0207 0.0381 0.0381
Schistosoma mansoni protein kinase 0.0568 0.118 0.118
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0207 0.0381 0.5502
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0189 0.0342 0.0342
Brugia malayi Immunoglobulin I-set domain containing protein 0.016 0.0276 0.0902
Loa Loa (eye worm) cytochrome P450 family protein 0.0341 0.0677 0.2257
Trypanosoma cruzi polo-like protein kinase, putative 0.1375 0.2968 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0045 0.0023 0.0044
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.1375 0.2968 1
Trichomonas vaginalis CAMK family protein kinase 0.1375 0.2968 1
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0138 0.0229 0.0328
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0019 0.0033
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0138 0.0229 0.0314
Echinococcus multilocularis aurora kinase A 0.0568 0.118 0.169
Brugia malayi Immunoglobulin I-set domain containing protein 0.0041 0.0013 0.0011
Schistosoma mansoni titin 0.0041 0.0013 0.0013
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0041 0.0013 0.0011
Loa Loa (eye worm) hypothetical protein 0.019 0.0343 0.1126
Echinococcus granulosus fibroblast growth factor receptor 4 0.0138 0.0229 0.0314
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0207 0.0381 0.6977
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0207 0.0381 0.1228
Echinococcus granulosus neuroglian 0.0045 0.0023 0.0019
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0207 0.0381 0.6977
Loa Loa (eye worm) hypothetical protein 0.023 0.0432 0.1428
Leishmania major cytochrome p450-like protein 0.0207 0.0381 0.1228
Brugia malayi Immunoglobulin I-set domain containing protein 0.0041 0.0013 0.0011
Trypanosoma cruzi cytochrome P450, putative 0.0341 0.0677 0.2231
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.1375 0.2968 1
Brugia malayi Cytochrome P450 family protein 0.0827 0.1754 0.5896
Loa Loa (eye worm) beta-lactamase 0.0043 0.0019 0.0033
Loa Loa (eye worm) hypothetical protein 0.0043 0.0019 0.0033
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0138 0.0229 0.0328
Brugia malayi Cytochrome P450 family protein 0.0207 0.0381 0.1256
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0568 0.118 1
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0041 0.0014 0.002
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0189 0.0342 0.0342
Echinococcus multilocularis hemicentin 1 0.0041 0.0013 0.0019
Schistosoma mansoni septate junction protein 0.0041 0.0013 0.0013
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0207 0.0381 0.6977
Schistosoma mansoni vesicular amine transporter 0.0189 0.0342 0.0342
Loa Loa (eye worm) cytochrome P450 0.0207 0.0381 0.1256
Brugia malayi serine/threonine kinase 12 0.0568 0.118 0.3957
Trichomonas vaginalis AGC family protein kinase 0.0568 0.118 0.3937
Loa Loa (eye worm) TK/ROR protein kinase 0.0041 0.0014 0.0016
Echinococcus granulosus peroxidasin 0.0041 0.0014 0.0006
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.3189 0.6985 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0045 0.0023 0.0044
Echinococcus granulosus Immunoglobulin 0.0189 0.0342 0.0477
Loa Loa (eye worm) hypothetical protein 0.0041 0.0014 0.0013
Loa Loa (eye worm) AUR protein kinase 0.0568 0.118 0.3957
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0014 0.0015
Schistosoma mansoni cell adhesion molecule 0.0213 0.0394 0.0394
Brugia malayi beta-lactamase family protein 0.0043 0.0019 0.0033
Brugia malayi Immunoglobulin I-set domain containing protein 0.0041 0.0013 0.0011
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0207 0.0381 0.5502
Brugia malayi Immunoglobulin I-set domain containing protein 0.0041 0.0013 0.0011
Loa Loa (eye worm) hypothetical protein 0.0189 0.0342 0.1124
Trypanosoma brucei polo-like protein kinase 0.1375 0.2968 1
Echinococcus granulosus twitchin 0.0224 0.0419 0.0587
Trichomonas vaginalis CAMK family protein kinase 0.1375 0.2968 1
Echinococcus multilocularis roundabout 2 0.0045 0.0023 0.0032
Echinococcus granulosus defective proboscis extension response 0.0189 0.0342 0.0477
Loa Loa (eye worm) hypothetical protein 0.0134 0.0219 0.0708
Onchocerca volvulus 0.0043 0.0019 0.0033
Loa Loa (eye worm) hypothetical protein 0.0043 0.0019 0.0033
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0568 0.118 0.1678
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0207 0.0381 0.1228
Loa Loa (eye worm) AUR protein kinase 0.0568 0.118 0.3957
Plasmodium falciparum serine/threonine protein kinase, putative 0.0568 0.118 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0019 0.0033
Trypanosoma brucei aurora B kinase 0.0568 0.118 0.3937
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0207 0.0381 0.6977
Mycobacterium leprae Conserved hypothetical protein 0.0207 0.0381 1
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0207 0.0381 0.5502
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0568 0.118 0.169
Schistosoma mansoni cytochrome P450 0.0207 0.0381 0.0381
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0207 0.0381 0.6977
Trichomonas vaginalis CAMK family protein kinase 0.1375 0.2968 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0207 0.0381 0.3118
Loa Loa (eye worm) hypothetical protein 0.0041 0.0013 0.0011
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0208 0.0384 0.0537
Echinococcus multilocularis titin 0.0039 0.001 0.0014
Echinococcus multilocularis lachesin 0.0041 0.0013 0.0019
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0341 0.0677 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0207 0.0381 0.1228
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0045 0.0023 0.0044
Echinococcus multilocularis roundabout 2 0.0234 0.0442 0.0632
Loa Loa (eye worm) hypothetical protein 0.0043 0.0019 0.0033
Echinococcus multilocularis tyrosine protein kinase otk 0.0041 0.0013 0.0019
Giardia lamblia Kinase, PLK 0.1375 0.2968 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0019 0.0033
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0207 0.0381 0.5502
Brugia malayi hypothetical protein 0.038 0.0765 0.2554
Echinococcus granulosus aurora kinase A 0.0568 0.118 0.1678
Echinococcus multilocularis hemicentin 1 0.0041 0.0013 0.0019
Loa Loa (eye worm) hypothetical protein 0.0041 0.0013 0.0011
Schistosoma mansoni titin 0.0039 0.001 0.001
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0207 0.0381 0.6977
Schistosoma mansoni nephrin 0.0215 0.0399 0.0399
Brugia malayi Immunoglobulin I-set domain containing protein 0.004 0.0012 0.0008
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0019 0.0014
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0207 0.0381 0.6977
Echinococcus multilocularis neuroglian 0.0045 0.0023 0.0032
Trichomonas vaginalis CAMK family protein kinase 0.1375 0.2968 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0013 0.0011
Echinococcus multilocularis neuroglian 0.0211 0.0389 0.0558
Trichomonas vaginalis AGC family protein kinase 0.0568 0.118 0.3937
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0045 0.0023 0.0032
Loa Loa (eye worm) TK protein kinase 0.016 0.0276 0.0902
Mycobacterium leprae putative cytochrome p450 0.0207 0.0381 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0207 0.0381 0.6977
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0207 0.0381 0.6977
Leishmania major cytochrome p450-like protein 0.0207 0.0381 0.1228
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0045 0.0023 0.0032
Loa Loa (eye worm) hypothetical protein 0.0194 0.0352 0.1156
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0207 0.0381 0.5502
Echinococcus granulosus lachesin 0.0041 0.0013 0.0005
Brugia malayi Immunoglobulin I-set domain containing protein 0.0045 0.0023 0.0044
Schistosoma mansoni neuroglian 0.0045 0.0023 0.0023
Trichomonas vaginalis AGC family protein kinase 0.0568 0.118 0.3937
Loa Loa (eye worm) cytochrome P450 family protein 0.0341 0.0677 0.2257
Schistosoma mansoni cell adhesion molecule 0.0045 0.0023 0.0023
Echinococcus granulosus serine:threonine protein kinase PLK1 0.1375 0.2968 0.4241

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 53 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 47.1 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule antagonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.005 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.2589 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) 6.5733 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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