Detailed information for compound 1381222

Basic information

Technical information
  • TDR Targets ID: 1381222
  • Name: 5-[(2,6-dichlorophenyl)methylidene]-2,3-dihyd roimidazo[2,1-b][1,3]thiazol-6-one
  • MW: 299.176 | Formula: C12H8Cl2N2OS
  • H donors: 0 H acceptors: 1 LogP: 3.48 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N=C2N(/C/1=C\c1c(Cl)cccc1Cl)CCS2
  • InChi: 1S/C12H8Cl2N2OS/c13-8-2-1-3-9(14)7(8)6-10-11(17)15-12-16(10)4-5-18-12/h1-3,6H,4-5H2/b10-6-
  • InChiKey: NGDAURFCZOIWTB-POHAHGRESA-N  

Network

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Synonyms

  • 5-[(2,6-dichlorophenyl)methylene]-2,3-dihydroimidazo[2,1-b]thiazol-6-one
  • 5-(2,6-dichlorobenzylidene)-2,3-dihydroimidazo[2,1-b]thiazol-6-one
  • ZINC00385815
  • AP-829/41981988
  • 5-(2,6-dichlorobenzylidene)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6(5H)-one
  • MLS000544786
  • SMR000161546

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Giardia lamblia U5 small nuclear ribonucleoprotein 200 kDa helicase, putative RecQ helicase-like 649 aa 521 aa 19.8 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0024 0.5056 0.4959
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4796 0.9435
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.4796 0.9465
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.4835 0.4734
Schistosoma mansoni DNA helicase recq1 0.0024 0.5056 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0024 0.5056 0.5
Giardia lamblia Sgs1 DNA helicase, putative 0.0024 0.5056 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.4796 0.4693
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.4796 0.9435
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4796 0.9435
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.5056 1
Mycobacterium leprae Conserved hypothetical protein 0.0013 0.045 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4796 0.9435
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4796 0.9435
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1798 0.2926
Loa Loa (eye worm) RecQ helicase 0.0024 0.5056 0.4959
Loa Loa (eye worm) hypothetical protein 0.0024 0.5056 0.4959
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.4796 0.9435
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0013 0.045 0.053
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.4796 0.9485
Echinococcus granulosus dna polymerase eta 0.0023 0.4796 0.9435
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.4835 0.4734
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.5056 0.4823
Echinococcus multilocularis dna polymerase eta 0.0023 0.4796 0.9435
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.5056 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4796 0.9435
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.4796 0.9909
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.4796 0.9465
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4796 0.9435
Echinococcus granulosus bloom syndrome protein 0.0024 0.5056 1
Echinococcus multilocularis dna polymerase kappa 0.0023 0.4796 0.9435
Entamoeba histolytica recQ family helicase, putative 0.0024 0.5056 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1798 0.2926
Mycobacterium leprae putative cytochrome p450 0.0013 0.045 0.5
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0024 0.5056 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.4796 0.9435
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0192 0.0381
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.4796 0.9485
Brugia malayi Cytochrome P450 family protein 0.0023 0.4835 0.4592
Schistosoma mansoni cytochrome P450 0.0013 0.045 0.089
Trypanosoma brucei unspecified product 0.0016 0.1798 0.2926
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.5056 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.5056 0.4823
Schistosoma mansoni blooms syndrome DNA helicase 0.0012 0.0192 0.0381
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0024 0.5056 1
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.4835 0.9546
Trypanosoma brucei unspecified product 0.0016 0.1798 0.2926
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0192 0.0000000041704
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.4796 0.9435
Leishmania major DNA polymerase kappa, putative 0.0023 0.4796 0.9435
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.4796 0.9465
Trypanosoma brucei cytochrome P450, putative 0.0023 0.4835 0.9521
Trypanosoma brucei unspecified product 0.0023 0.4796 0.9435
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.4796 0.9435
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.4796 0.9909
Brugia malayi Cytochrome P450 family protein 0.0023 0.4835 0.4592
Schistosoma mansoni hypothetical protein 0.0013 0.045 0.089
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1798 0.2926
Leishmania major cytochrome p450-like protein 0.0023 0.4835 0.9521
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.5056 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.4796 0.9465
Toxoplasma gondii cytochrome p450 superfamily protein 0.0013 0.045 0.089
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.5056 1
Leishmania major DNA polymerase eta, putative 0.0023 0.4796 0.9435
Schistosoma mansoni DNA polymerase eta 0.0023 0.4796 0.9485
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4796 0.9435
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4796 0.9435
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.5056 1
Entamoeba histolytica recQ family DNA helicase 0.0012 0.0192 0.0381
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.4796 0.9485
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.4796 0.9435
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.4835 0.9546
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0024 0.5056 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4796 0.9435
Echinococcus multilocularis bloom syndrome protein 0.0024 0.5056 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.4796 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0013 0.045 0.053
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.4796 0.9435
Schistosoma mansoni DNA helicase recq5 0.0024 0.5056 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0024 0.5056 0.5
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.5056 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.4796 0.9435
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0013 0.045 0.053
Treponema pallidum ATP-dependent DNA helicase 0.0012 0.0192 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.4796 0.455
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.4796 0.4693
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.4796 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.5056 0.4823
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.4796 0.455
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.5056 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.4835 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0012 0.0192 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4796 0.9435
Loa Loa (eye worm) cytochrome P450 0.0013 0.045 0.0263
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.4796 0.9465
Loa Loa (eye worm) CYP4Cod1 0.0023 0.4835 0.4734
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0024 0.5056 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 10 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 10 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 15.84893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 28.18382931 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 0.9285 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) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 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) 22.3872 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 41.3999 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 95.2834 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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