Detailed information for compound 1444412

Basic information

Technical information
  • TDR Targets ID: 1444412
  • Name: 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl) acetic acid
  • MW: 301.383 | Formula: C15H11NO2S2
  • H donors: 1 H acceptors: 3 LogP: 3.49 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)Cc1sc(nc1c1cccs1)c1ccccc1
  • InChi: 1S/C15H11NO2S2/c17-13(18)9-12-14(11-7-4-8-19-11)16-15(20-12)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)
  • InChiKey: CDQHUGOFVVCKHQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-phenyl-4-(2-thienyl)thiazol-5-yl]acetic acid
  • 2-[2-phenyl-4-(2-thienyl)-5-thiazolyl]acetic acid
  • 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanoic acid
  • ST028963
  • MLS001033727
  • SMR000385664
  • Oprea1_773821

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens relaxin/insulin-like family peptide receptor 1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0365 1 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0365 1 1
Echinococcus multilocularis low density lipoprotein receptor (ldl) 0.0006 0.003 0.0051
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.003
Echinococcus multilocularis Low density lipoprotein receptor, class A, cysteine rich 0.0006 0.003 0.0051
Chlamydia trachomatis 3'(2'),5'-bisphosphate nucleotidase CysQ 0.0005 0 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.1109 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1404 0.2359
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0501 0.0841
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0501 0.4517
Echinococcus granulosus 5'partial|Low density lipoprotein receptor class A cysteine rich 0.0006 0.003 0.0051
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1404 0.2359
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1109 0.1109
Echinococcus granulosus Low density lipoprotein receptor class A cysteine rich 0.0006 0.003 0.0051
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.1109 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0501 0.4517
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0501 0.0501
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.1109 0.1863
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1404 0.2359
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1404 0.2359
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.003 0.003
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0979 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0501 0.5
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.1109 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.003
Schistosoma mansoni hypothetical protein 0.0006 0.003 0.0051
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.003
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0006 0.003 0.0051
Onchocerca volvulus Terribly reduced optic lobes homolog 0.0006 0.003 0.0051
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0006 0.003 0.0051
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0006 0.003 0.0051
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.003 0.003
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.1109 1
Echinococcus granulosus basement membrane specific heparan sulfate 0.0006 0.003 0.0051
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.003
Loa Loa (eye worm) low-density lipoprotein receptor domain class A containing protein 0.0006 0.003 0.003
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.1109 1
Onchocerca volvulus 0.0006 0.003 0.0051
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1404 0.2359
Brugia malayi CUB domain containing protein 0.0006 0.003 0.003
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0219 0.5952 1
Echinococcus multilocularis low density lipoprotein receptor protein 0.0006 0.003 0.0051
Onchocerca volvulus 0.0006 0.003 0.0051
Loa Loa (eye worm) hypothetical protein 0.0365 1 1
Echinococcus granulosus low density lipoprotein receptor protein 0.0006 0.003 0.0051
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1109 0.1109
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.003
Echinococcus multilocularis low density lipoprotein receptor (ldl) 0.0006 0.003 0.0051
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.003
Brugia malayi enteropeptidase precursor 0.0006 0.003 0.003
Leishmania major C-8 sterol isomerase-like protein 0.0365 1 1
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0005 0.0002 0.0014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1404 0.2359
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0501 1
Onchocerca volvulus 0.0006 0.003 0.0051
Brugia malayi vesicular acetylcholine transporter unc-17 0.0219 0.5952 0.5952
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0006 0.003 0.0051
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1109 0.1109
Echinococcus granulosus vesicular acetylcholine transporter 0.0219 0.5952 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0501 0.0501
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.003 0.003
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0501 0.5
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1109 0.1109
Loa Loa (eye worm) calcium binding EGF domain-containing protein 0.0006 0.003 0.003
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0501 0.0501
Schistosoma mansoni vesicular acetylcholine transporter 0.0219 0.5952 1
Brugia malayi Calcium binding EGF domain containing protein 0.0006 0.003 0.003
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.1109 1
Echinococcus multilocularis Low density lipoprotein receptor, class A, cysteine rich 0.0006 0.003 0.0051
Schistosoma mansoni inositol monophosphatase 0.0045 0.1109 0.1863
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0219 0.5952 0.5952
Loa Loa (eye worm) low-density lipoprotein receptor domain class A containing protein 0.0006 0.003 0.003
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0005 0.0002 0.0002
Brugia malayi Inositol-1 0.0045 0.1109 0.1109
Brugia malayi basement membrane proteoglycan precursor 0.0006 0.003 0.003
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0006 0.003 0.003
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0501 0.0501
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.003
Toxoplasma gondii exonuclease III APE 0.0023 0.0501 0.4517
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0501 0.4517
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0501 0.0501
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0006 0.003 0.003
Loa Loa (eye worm) inositol-1 0.0045 0.1109 0.1109
Echinococcus multilocularis Low density lipoprotein receptor, class A, cysteine rich 0.0006 0.003 0.0051
Schistosoma mansoni ap endonuclease 0.0023 0.0501 0.0841
Onchocerca volvulus 0.0006 0.003 0.0051
Onchocerca volvulus 0.0006 0.003 0.0051
Brugia malayi CCR4 0.0005 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0186 0.5048 0.5048
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0501 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.003
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0501 0.4517
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.003
Schistosoma mansoni ap endonuclease 0.0023 0.0501 0.0841
Echinococcus multilocularis vesicular acetylcholine transporter 0.0219 0.5952 1
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.003 0.003
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0006 0.003 0.0051
Brugia malayi Low-density lipoprotein receptor-related protein, putative 0.0006 0.003 0.003
Schistosoma mansoni inositol monophosphatase 0.0045 0.1109 0.1863
Echinococcus granulosus basement membrane specific heparan sulfate 0.0006 0.003 0.0051
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0979 1
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.003
Onchocerca volvulus Arrow homolog 0.0006 0.003 0.0051
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0501 0.5116
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0006 0.003 0.0051
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0501 0.0841
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1404 0.2359
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.1109 0.1863
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0501 0.0501
Schistosoma mansoni hypothetical protein 0.0006 0.003 0.0051
Loa Loa (eye worm) low-density lipoprotein receptor domain class A containing protein 0.0006 0.003 0.003
Echinococcus granulosus low density lipoprotein receptor ldl 0.0006 0.003 0.0051
Onchocerca volvulus 0.0006 0.003 0.0051
Echinococcus granulosus low density lipoprotein receptor ldl 0.0006 0.003 0.0051
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.1109 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1404 0.1404
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1404 0.1404
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.003
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0006 0.003 0.0051
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.003 0.003

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 25.97 um PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 2 (SRC-2) recruitment by the peroxisome proliferator-activated receptor gamma (PPAR gamma): non-selective agonists. (Class of assay: confirmatory) [Related pubchem assays: 1297, 1032 ] ChEMBL. No reference
EC50 (functional) > 79.37 um PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 3 (SRC-3) recruitment by the peroxisome proliferator-activated receptor gamma (PPAR gamma): non-selective agonists. (Class of assay: confirmatory) [Related pubchem assays: 1301 (Confirmation screen.), 1048 (Primary screen.)] ChEMBL. No reference
EC50 (binding) = 94.85 uM PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 1 (SRC-1) recruitment by the peroxisome proliferator-activated receptor gamma (PPAR gamma): non-selective agonists. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1300, AID1808, AID504735, AID631] ChEMBL. No reference
Potency (functional) 0.0562 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 12.5893 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (binding) 25.1189 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (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) 251.1886 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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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