Detailed information for compound 1442736

Basic information

Technical information
  • TDR Targets ID: 1442736
  • Name: 5-[1-(4-fluorophenyl)sulfonylpyrazol-3-yl]-2- phenyl-1,3-thiazole
  • MW: 385.435 | Formula: C18H12FN3O2S2
  • H donors: 0 H acceptors: 4 LogP: 3.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)S(=O)(=O)n1ccc(n1)c1cnc(s1)c1ccccc1
  • InChi: 1S/C18H12FN3O2S2/c19-14-6-8-15(9-7-14)26(23,24)22-11-10-16(21-22)17-12-20-18(25-17)13-4-2-1-3-5-13/h1-12H
  • InChiKey: KYIWXQOFAPTVCE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[1-(4-fluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-thiazole
  • 5-[1-(4-fluorophenyl)sulfonyl-3-pyrazolyl]-2-phenylthiazole
  • ZINC01389012
  • 5-{1-[(4-fluorophenyl)sulfonyl]-1H-pyrazol-3-yl}-2-phenyl-1,3-thiazole
  • MLS000328005
  • SMR000168610
  • Bionet1_002329
  • 4M-042

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 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
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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 braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania infantum cytochrome p450-like protein 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
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
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
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
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_126554 All targets in OG5_126554
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus neurogenic locus protein delta 0.0188 0.1638 0.1746
Echinococcus granulosus neural cadherin 0.0188 0.1638 0.1746
Onchocerca volvulus 0.0581 0.5791 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Echinococcus multilocularis neural cadherin 0.0188 0.1638 0.1472
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0654 0.3991
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Schistosoma mansoni hypothetical protein 0.0188 0.1638 0.1766
Brugia malayi Animal haem peroxidase family protein 0.0581 0.5791 1
Onchocerca volvulus Peroxidase homolog 0.0581 0.5791 1
Brugia malayi EGF-like domain containing protein 0.0188 0.1638 0.2579
Loa Loa (eye worm) animal heme peroxidase 0.0581 0.5791 1
Onchocerca volvulus Peroxidasin homolog 0.0581 0.5791 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.031 0.5
Echinococcus multilocularis neurogenic locus protein delta 0.0188 0.1638 0.1472
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Echinococcus granulosus expressed conserved protein 0.0112 0.0836 0.0775
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.0912 0.1281
Schistosoma mansoni hypothetical protein 0.0188 0.1638 0.1766
Schistosoma mansoni septate junction protein 0.0188 0.1638 0.1766
Schistosoma mansoni notch 0.0188 0.1638 0.1766
Onchocerca volvulus Peroxidase homolog 0.0581 0.5791 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.031 0.4744
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Schistosoma mansoni hypothetical protein 0.0188 0.1638 0.1766
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.0912 0.0868
Brugia malayi EGF-like domain containing protein 0.0188 0.1638 0.2579
Schistosoma mansoni patched 1 0.0051 0.0195 0.0023
Brugia malayi Calcium binding EGF domain containing protein 0.0188 0.1638 0.2579
Brugia malayi Delta serrate ligand family protein 0.0188 0.1638 0.2579
Echinococcus multilocularis neurogenic locus protein delta 0.0188 0.1638 0.1472
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0654 0.5
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Loa Loa (eye worm) hypothetical protein 0.0581 0.5791 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Echinococcus granulosus protein jagged 2 0.0188 0.1638 0.1746
Brugia malayi Probable ClpP-like protease 0.0094 0.0654 0.0819
Brugia malayi EGF-like domain containing protein 0.0188 0.1638 0.2579
Schistosoma mansoni slit 0.0188 0.1638 0.1766
Loa Loa (eye worm) hypothetical protein 0.0581 0.5791 1
Echinococcus granulosus protein jagged 1 0.0188 0.1638 0.1746
Loa Loa (eye worm) hypothetical protein 0.0094 0.0654 0.0819
Brugia malayi Animal haem peroxidase family protein 0.0581 0.5791 1
Loa Loa (eye worm) hypothetical protein 0.0581 0.5791 1
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.5555 0.6486
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0188 0.1638 0.1766
Echinococcus multilocularis neurogenic locus notch protein 0.0188 0.1638 0.1472
Schistosoma mansoni notch 0.0188 0.1638 0.1766
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 0.0369 0.031
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.031 0.5
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Brugia malayi Animal haem peroxidase family protein 0.0581 0.5791 1
Echinococcus multilocularis notch 0.0188 0.1638 0.1472
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.031 0.0139
Brugia malayi Muscle positioning protein 4 0.0188 0.1638 0.2579
Brugia malayi notch-like transmembrane receptor 0.0188 0.1638 0.2579
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0654 0.3991
Loa Loa (eye worm) animal heme peroxidase 0.0581 0.5791 1
Schistosoma mansoni hypothetical protein 0.0188 0.1638 0.1766
Brugia malayi Cytochrome P450 family protein 0.0067 0.0369 0.031
Loa Loa (eye worm) hypothetical protein 0.0581 0.5791 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Giardia lamblia High cysteine protein 0.0188 0.1638 0.5
Brugia malayi EGF-like domain containing protein 0.0188 0.1638 0.2579
Toxoplasma gondii EGF family domain-containing protein 0.0188 0.1638 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0654 0.0555
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0654 1
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.5555 0.5466
Loa Loa (eye worm) hypothetical protein 0.0581 0.5791 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Loa Loa (eye worm) notch protein 0.0188 0.1638 0.2579
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8459 1
Brugia malayi Cadherin domain containing protein 0.0188 0.1638 0.2579
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.1451 0.152
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.1451 0.1281
Loa Loa (eye worm) animal heme peroxidase 0.0581 0.5791 1
Echinococcus multilocularis neurogenic locus notch protein 0.0188 0.1638 0.1472
Schistosoma mansoni notch 0.0188 0.1638 0.1766
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8459 0.8428
Loa Loa (eye worm) Notch2 0.0188 0.1638 0.2579
Echinococcus granulosus notch 0.0188 0.1638 0.1746
Schistosoma mansoni peroxidasin 0.0581 0.5791 0.678
Echinococcus multilocularis expressed conserved protein 0.0112 0.0836 0.0654
Loa Loa (eye worm) hypothetical protein 0.0581 0.5791 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Echinococcus granulosus peroxidasin 0.0581 0.5791 0.6772
Onchocerca volvulus Peroxidasin homolog 0.0581 0.5791 1
Brugia malayi hypothetical protein 0.0581 0.5791 1
Schistosoma mansoni hypothetical protein 0.0188 0.1638 0.1766
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Echinococcus granulosus neurogenic locus notch protein 0.0188 0.1638 0.1746
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.031 0.0117
Schistosoma mansoni notch 0.0188 0.1638 0.1766
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.5555 0.5466
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.0912 0.0731
Loa Loa (eye worm) hypothetical protein 0.0581 0.5791 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0654 1
Brugia malayi Cadherin domain containing protein 0.0188 0.1638 0.2579
Loa Loa (eye worm) hypothetical protein 0.0119 0.0912 0.1281
Echinococcus granulosus neurogenic locus notch protein 0.0188 0.1638 0.1746
Brugia malayi GCC2 and GCC3 family protein 0.0188 0.1638 0.2579
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.0654 0.5
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Echinococcus multilocularis neurogenic locus notch protein 4 0.0188 0.1638 0.1472
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Schistosoma mansoni notch 0.0188 0.1638 0.1766
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Loa Loa (eye worm) hypothetical protein 0.0581 0.5791 1
Schistosoma mansoni laminin gamma-3 chain 0.0188 0.1638 0.1766
Echinococcus multilocularis protein jagged 1 0.0188 0.1638 0.1472
Brugia malayi EGF-like domain containing protein 0.0188 0.1638 0.2579
Schistosoma mansoni notch 0.0188 0.1638 0.1766
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Onchocerca volvulus 0.0581 0.5791 1
Brugia malayi Calcium binding EGF domain containing protein 0.0188 0.1638 0.2579
Loa Loa (eye worm) hypothetical protein 0.0581 0.5791 1
Onchocerca volvulus 0.0581 0.5791 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8459 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0654 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0654 0.0577
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0654 0.5
Onchocerca volvulus Chorion peroxidase homolog 0.0581 0.5791 1
Echinococcus granulosus slit 2 protein 0.0188 0.1638 0.1746
Onchocerca volvulus Dual oxidase homolog 0.0581 0.5791 1
Loa Loa (eye worm) hypothetical protein 0.0581 0.5791 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Loa Loa (eye worm) hypothetical protein 0.0581 0.5791 1
Loa Loa (eye worm) hypothetical protein 0.0581 0.5791 1
Schistosoma mansoni cell polarity protein 0.0188 0.1638 0.1766
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0654 0.5
Echinococcus granulosus neurogenic locus notch protein 4 0.0188 0.1638 0.1746
Echinococcus multilocularis protein jagged 2 0.0188 0.1638 0.1472
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Echinococcus multilocularis protein jagged 1 0.0188 0.1638 0.1472
Loa Loa (eye worm) hypothetical protein 0.0581 0.5791 1
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0188 0.1638 0.2579
Loa Loa (eye worm) hypothetical protein 0.0188 0.1638 0.2579
Echinococcus granulosus fibropellin Ia 0.0188 0.1638 0.1746
Echinococcus multilocularis peroxidasin 0.0581 0.5791 0.5708
Echinococcus granulosus protein jagged 1 0.0188 0.1638 0.1746
Echinococcus granulosus protein jagged 2 0.0188 0.1638 0.1746
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0654 0.0468
Schistosoma mansoni hypothetical protein 0.0188 0.1638 0.1766
Brugia malayi EGF-like domain containing protein 0.0188 0.1638 0.2579
Echinococcus multilocularis protein dispatched 1 0.0058 0.0271 0.0078
Loa Loa (eye worm) hypothetical protein 0.0581 0.5791 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0654 0.5
Loa Loa (eye worm) blistered cuticle protein 3 0.0581 0.5791 1
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0195 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0581 0.5791 1
Brugia malayi Peroxidasin 0.0581 0.5791 1
Brugia malayi EGF-like domain containing protein 0.0188 0.1638 0.2579
Echinococcus granulosus neuropeptide s receptor 0.0558 0.5555 0.6486
Echinococcus multilocularis slit 2 protein 0.0188 0.1638 0.1472
Echinococcus multilocularis fat cadherin tumor suppressor 0.0188 0.1638 0.1472
Loa Loa (eye worm) hypothetical protein 0.0062 0.0317 0.0217
Schistosoma mansoni hypothetical protein 0.0188 0.1638 0.1766
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.0932 0.0912
Brugia malayi Animal haem peroxidase family protein 0.0581 0.5791 1
Echinococcus multilocularis fibropellin Ia 0.0188 0.1638 0.1472
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0654 1
Brugia malayi Animal haem peroxidase family protein 0.0581 0.5791 1
Echinococcus granulosus delta-like protein 1 0.0188 0.1638 0.1746
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.0912 0.5
Schistosoma mansoni peroxidasin 0.0581 0.5791 0.678
Brugia malayi Blistered cuticle protein 3 0.0581 0.5791 1
Brugia malayi Calcium binding EGF domain containing protein 0.0188 0.1638 0.2579

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 2.238721139 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) = 7.943282347 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) = 8.912509381 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
AC50 (functional) = 11.22018454 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) = 17.7827941 uM 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
Potency (functional) 1.6511 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) 2.6169 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.1995 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 10.3225 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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