Detailed information for compound 1000903

Basic information

Technical information
  • TDR Targets ID: 1000903
  • Name: 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetic acid
  • MW: 221.185 | Formula: C11H8FNO3
  • H donors: 1 H acceptors: 3 LogP: 1.6 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)Cc1coc(n1)c1ccc(cc1)F
  • InChi: 1S/C11H8FNO3/c12-8-3-1-7(2-4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
  • InChiKey: NSXNTASTGRAOHP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-(4-fluorophenyl)oxazol-4-yl]acetic acid
  • 2-[2-(4-fluorophenyl)-4-oxazolyl]acetic acid
  • 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanoic acid
  • SMR000026580
  • [2-(4-Fluorophenyl)oxazol-4-yl]acetic acid
  • ChemDiv2_002831
  • [2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetic acid
  • MLS000044976

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein 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
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 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
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
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
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
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
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase 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
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 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
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative 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
Entamoeba histolytica myo-inositol monophosphatase, putative 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 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
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 300 aa 22.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
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 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 307 aa 22.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0132 0.3658 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.3658 0.3658
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0132 0.3658 1
Echinococcus multilocularis epidermal retinal dehydrogenase 2 0.0132 0.3658 0.5467
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0047 0.0128
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0047 0.007
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0132 0.3658 0.376
Trypanosoma brucei 3-keto-dihydrosphingosine reductase 0.0132 0.3658 1
Trypanosoma cruzi hypothetical protein, conserved 0.0132 0.3658 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 0.3658
Echinococcus multilocularis retinol dehydrogenase 13 0.0132 0.3658 0.5467
Brugia malayi Retinol dehydrogenase 12 0.0132 0.3658 0.3658
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Leishmania major hypothetical protein, conserved 0.0132 0.3658 1
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0132 0.3658 1
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Schistosoma mansoni carbonyl reductase 0.0132 0.3658 0.3658
Schistosoma mansoni steroid dehydrogenase 0.0132 0.3658 0.3658
Toxoplasma gondii oxidoreductase, putative 0.0132 0.3658 1
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0132 0.3658 1
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Trypanosoma cruzi hypothetical protein, conserved 0.0132 0.3658 1
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0132 0.3658 1
Leishmania major hypothetical protein, conserved 0.0132 0.3658 1
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 1
Leishmania major quinonoid dihydropteridine reductase 0.0132 0.3658 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0132 0.3658 1
Echinococcus multilocularis oxidoreductase 0.0132 0.3658 0.5467
Onchocerca volvulus 0.0132 0.3658 0.3658
Mycobacterium ulcerans ketoacyl reductase 0.0132 0.3658 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.3658 0.3658
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0132 0.3658 0.3658
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0047 0.0128
Schistosoma mansoni steroid dehydrogenase 0.0132 0.3658 0.3658
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0132 0.3658 1
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0132 0.3658 0.376
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0132 0.3658 1
Mycobacterium ulcerans dehydrogenase/decarboxylase protein 0.0132 0.3658 1
Echinococcus multilocularis carbonyl reductase 1 0.0132 0.3658 0.5467
Schistosoma mansoni steroid dehydrogenase 0.0132 0.3658 0.3658
Onchocerca volvulus 0.0259 0.895 0.895
Leishmania major quinonoid dihydropteridine reductase 0.0132 0.3658 1
Brugia malayi dehydrogenases, short chain protein 2 0.0132 0.3658 0.3658
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0132 0.3658 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0047 0.0047
Echinococcus granulosus carbonyl reductase 1 0.0132 0.3658 0.5467
Schistosoma mansoni short chain dehydrogenase 0.0132 0.3658 0.3658
Schistosoma mansoni carbonyl reductase 0.0132 0.3658 0.3658
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.0132 0.3658 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 0.3658
Leishmania major hypothetical protein, conserved 0.0132 0.3658 1
Echinococcus multilocularis carbonyl reductase 1 0.0132 0.3658 0.5467
Loa Loa (eye worm) hypothetical protein 0.0132 0.3658 0.3658
Entamoeba histolytica hypothetical protein 0.0132 0.3658 1
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0132 0.3658 1
Onchocerca volvulus 0.0132 0.3658 0.3658
Echinococcus multilocularis estradiol 17 beta dehydrogenase 12 0.0132 0.3658 0.5467
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0132 0.3658 1
Mycobacterium tuberculosis Probable shortchain dehydrogenase 0.0132 0.3658 0.376
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 0.3658
Echinococcus granulosus Dehydrogenase:reductase SDR family 0.0132 0.3658 0.5467
Toxoplasma gondii oxidoreductase, putative 0.0132 0.3658 1
Brugia malayi Inositol-1 0.0045 0.0047 0.0047
Leishmania major quinonoid dihydropteridine reductase 0.0132 0.3658 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0132 0.3658 0.3658
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0047 0.0128
Onchocerca volvulus 0.0132 0.3658 0.3658
Loa Loa (eye worm) hypothetical protein 0.0132 0.3658 0.3658
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 0.3658
Brugia malayi oxidoreductase 0.0132 0.3658 0.3658
Echinococcus multilocularis geminin 0.0205 0.669 1
Onchocerca volvulus 0.0132 0.3658 0.3658
Schistosoma mansoni short chain dehydrogenase 0.0132 0.3658 0.3658
Echinococcus granulosus carbonyl reductase 1 0.0132 0.3658 0.5467
Mycobacterium tuberculosis Probable oxidoreductase 0.0132 0.3658 0.376
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0132 0.3658 0.5467
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0047 0.0128
Trypanosoma brucei short-chain dehydrogenase, putative 0.0132 0.3658 1
Leishmania major quinonoid dihydropteridine reductase 0.0132 0.3658 1
Onchocerca volvulus 0.0132 0.3658 0.3658
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Echinococcus granulosus geminin 0.0205 0.669 1
Schistosoma mansoni short chain dehydrogenase 0.0132 0.3658 0.3658
Trichomonas vaginalis steroid dehydrogenase, putative 0.0132 0.3658 1
Schistosoma mansoni carbonyl reductase 0.0132 0.3658 0.3658
Trichomonas vaginalis short-chain dehydrogenases/reductase, putative 0.0132 0.3658 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 0.3658
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0132 0.3658 0.376
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 0.3658
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0132 0.3658 1
Onchocerca volvulus 0.0132 0.3658 0.3658
Leishmania major pteridine reductase 1 0.0132 0.3658 1
Echinococcus multilocularis conserved hypothetical protein 0.0132 0.3658 0.5467
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0132 0.3658 1
Mycobacterium ulcerans oxidoreductase 0.0132 0.3658 1
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 1
Echinococcus multilocularis carbonyl reductase 1 0.0132 0.3658 0.5467
Onchocerca volvulus 0.0132 0.3658 0.3658
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0132 0.3658 1
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0132 0.3658 0.3658
Schistosoma mansoni hypothetical protein 0.0205 0.669 0.669
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0132 0.3658 1
Echinococcus multilocularis steroid dehydrogenase 0.0132 0.3658 0.5467
Entamoeba histolytica hypothetical protein, conserved 0.0132 0.3658 1
Schistosoma mansoni steroid dehydrogenase 0.0132 0.3658 0.3658
Trypanosoma brucei short-chain dehydrogenase, putative 0.0132 0.3658 1
Onchocerca volvulus 0.0132 0.3658 0.3658
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.9727 1
Trypanosoma brucei 3-ketoacyl-CoA reductase, putative 0.0132 0.3658 1
Mycobacterium ulcerans ketoacyl reductase 0.0132 0.3658 1
Schistosoma mansoni steroid dehydrogenase 0.0132 0.3658 0.3658
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 0.3658
Leishmania major quinonoid dihydropteridine reductase 0.0132 0.3658 1
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0132 0.3658 0.3658
Echinococcus granulosus WW domain containing oxidoreductase 0.0132 0.3658 0.5467
Mycobacterium tuberculosis Probable short-chain dehydrogenase/reductase 0.0132 0.3658 0.376
Mycobacterium tuberculosis Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 0.0132 0.3658 0.376
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 1 homolog 0.0132 0.3658 0.3658
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0132 0.3658 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 0.3658
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0132 0.3658 0.376
Brugia malayi Dehydrogenases, short chain protein 2 0.0132 0.3658 0.3658
Mycobacterium tuberculosis Possible iron-regulated short-chain dehydrogenase/reductase 0.0132 0.3658 0.376
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 0.3658
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0047 0.0128
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0132 0.3658 0.376
Echinococcus multilocularis 3 ketodihydrosphingosine reductase 0.0132 0.3658 0.5467
Loa Loa (eye worm) dehydrogenase 0.0132 0.3658 0.3658
Schistosoma mansoni short chain dehydrogenase 0.0132 0.3658 0.3658
Loa Loa (eye worm) oxidoreductase 0.0132 0.3658 0.3658
Mycobacterium ulcerans carveol-like dehydrogenase 0.0132 0.3658 1
Loa Loa (eye worm) oxidoreductase 0.0132 0.3658 0.3658
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0132 0.3658 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0132 0.3658 1
Loa Loa (eye worm) oxidoreductase 0.0132 0.3658 0.3658
Entamoeba histolytica hypothetical protein, conserved 0.0132 0.3658 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0132 0.3658 1
Mycobacterium tuberculosis Decaprenylphosphoryl-D-2-keto erythro pentose reductase 0.0132 0.3658 0.376
Echinococcus multilocularis transient receptor potential cation channel 0.0132 0.3658 0.5467
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 1
Schistosoma mansoni short chain dehydrogenase 0.0132 0.3658 0.3658
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0132 0.3658 0.3658
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0132 0.3658 0.376
Plasmodium vivax hypothetical protein, conserved 0.0132 0.3658 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0047 0.0128
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0132 0.3658 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0284 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.3658 0.3658
Schistosoma mansoni inositol monophosphatase 0.0045 0.0047 0.0047
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Mycobacterium tuberculosis Possible ketoacyl reductase 0.0132 0.3658 0.376
Loa Loa (eye worm) hypothetical protein 0.0132 0.3658 0.3658
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Trypanosoma cruzi short chain dehydrogenase, putative 0.0132 0.3658 1
Trypanosoma brucei beta-ketoacyl-ACP reductase 3, putative 0.0132 0.3658 1
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0132 0.3658 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0132 0.3658 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0132 0.3658 1
Schistosoma mansoni steroid dehydrogenase 0.0132 0.3658 0.3658
Onchocerca volvulus Sepiapterin reductase homolog 0.0132 0.3658 0.3658
Echinococcus granulosus carbonyl reductase 1 0.0132 0.3658 0.5467
Trichomonas vaginalis hydroxyacyl dehydrogenase, putative 0.0132 0.3658 1
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0132 0.3658 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.3658 0.3658
Entamoeba histolytica short chain dehydrogenase family protein 0.0132 0.3658 1
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0132 0.3658 1
Schistosoma mansoni steroid dehydrogenase 0.0132 0.3658 0.3658
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0047 0.007
Mycobacterium tuberculosis Possible oxidoreductase 0.0132 0.3658 0.376
Mycobacterium ulcerans oxidoreductase 0.0132 0.3658 1
Trypanosoma brucei oxidoreductase-like protein 0.0132 0.3658 1
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0132 0.3658 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0284 1 1
Mycobacterium ulcerans short-chain membrane-associated dehydrogenase 0.0132 0.3658 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0132 0.3658 1
Echinococcus granulosus 3 ketodihydrosphingosine reductase 0.0132 0.3658 0.5467
Schistosoma mansoni hypothetical protein 0.0205 0.669 0.669
Mycobacterium ulcerans short-chain dehydrogenase 0.0132 0.3658 1
Entamoeba histolytica oxidoreductase, short chain dehydrogenase/reductase family 0.0132 0.3658 1
Mycobacterium ulcerans short-chain dehydrogenase 0.0132 0.3658 1
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Echinococcus multilocularis retinol dehydrogenase 11 0.0132 0.3658 0.5467
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0132 0.3658 1
Trypanosoma brucei beta-D-hydroxybutyrate dehydrogenase 0.0132 0.3658 1
Mycobacterium leprae PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE 0.0132 0.3658 1
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0132 0.3658 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0132 0.3658 0.376
Brugia malayi hypothetical protein 0.0132 0.3658 0.3658
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0132 0.3658 0.376
Leishmania major short chain dehydrogenase/reductase, putative 0.0132 0.3658 1
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0132 0.3658 1
Echinococcus granulosus oxidoreductase 0.0132 0.3658 0.5467
Mycobacterium ulcerans short-chain type oxidoreductase 0.0132 0.3658 1
Onchocerca volvulus 0.0132 0.3658 0.3658
Loa Loa (eye worm) oxidoreductase 0.0132 0.3658 0.3658
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0132 0.3658 1
Mycobacterium ulcerans short-chain dehydrogenase 0.0132 0.3658 1
Schistosoma mansoni steroid dehydrogenase 0.0132 0.3658 0.3658
Loa Loa (eye worm) oxidoreductase 0.0132 0.3658 0.3658
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0132 0.3658 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0132 0.3658 0.376
Mycobacterium tuberculosis Probable oxidoreductase 0.0132 0.3658 0.376
Trypanosoma brucei short-chain dehydrogenase, putative 0.0132 0.3658 1
Entamoeba histolytica short chain dehydrogenase family protein 0.0132 0.3658 1
Mycobacterium ulcerans dehydrogenase 0.0132 0.3658 1
Schistosoma mansoni short chain dehydrogenase 0.0132 0.3658 0.3658
Giardia lamblia Reductase, putative 0.0132 0.3658 0.5
Loa Loa (eye worm) oxidoreductase 0.0132 0.3658 0.3658
Schistosoma mansoni steroid dehydrogenase 0.0132 0.3658 0.3658
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0047 0.0128
Mycobacterium leprae Probable oxidoreductase 0.0132 0.3658 1
Echinococcus multilocularis Dehydrogenase:reductase SDR family 0.0132 0.3658 0.5467
Toxoplasma gondii 3-ketoacyl-CoA reductase, putative 0.0132 0.3658 1
Mycobacterium tuberculosis Possible fatty acyl-CoA reductase 0.0132 0.3658 0.376
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0132 0.3658 0.376
Mycobacterium leprae ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE 0.0132 0.3658 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.3658 0.3658
Echinococcus multilocularis retinol dehydrogenase 11 0.0132 0.3658 0.5467
Leishmania major short chain dehydrogenase/reductase, putative 0.0132 0.3658 1
Giardia lamblia Short-chain dehydrogenase, putative 0.0132 0.3658 0.5
Giardia lamblia Hypothetical protein 0.0132 0.3658 0.5
Leishmania major hypothetical protein, conserved 0.0132 0.3658 1
Echinococcus granulosus retinol dehydrogenase 11 0.0132 0.3658 0.5467
Trypanosoma brucei beta-ketoacyl-ACP reductase 2 0.0132 0.3658 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0132 0.3658 1
Leishmania major short chain dehydrogenase, putative 0.0132 0.3658 1
Mycobacterium ulcerans short-chain dehydrogenase 0.0132 0.3658 1
Echinococcus granulosus retinol dehydrogenase 11 0.0132 0.3658 0.5467
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0132 0.3658 1
Loa Loa (eye worm) hypothetical protein 0.0284 1 1
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.0132 0.3658 0.3658
Schistosoma mansoni short chain dehydrogenase 0.0132 0.3658 0.3658
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0132 0.3658 0.376
Schistosoma mansoni short chain dehydrogenase 0.0132 0.3658 0.3658
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0132 0.3658 1
Schistosoma mansoni short chain dehydrogenase 0.0132 0.3658 0.3658
Leishmania major short chain dehydrogenase, putative 0.0132 0.3658 1
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0132 0.3658 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.3658 0.3658
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0132 0.3658 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 0.3658
Leishmania major dehydrogenase-like protein 0.0132 0.3658 1
Trypanosoma cruzi hypothetical protein, conserved 0.0132 0.3658 1
Trypanosoma cruzi short chain dehydrogenase, putative 0.0132 0.3658 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 0.3658
Loa Loa (eye worm) oxidoreductase 0.0132 0.3658 0.3658
Mycobacterium ulcerans dehydrogenase/reductase 0.0132 0.3658 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 0.3658
Loa Loa (eye worm) oxidoreductase 0.0132 0.3658 0.3658
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 0.3658
Schistosoma mansoni short chain dehydrogenase 0.0132 0.3658 0.3658
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0132 0.3658 1
Trypanosoma cruzi hypothetical protein, conserved 0.0132 0.3658 1
Schistosoma mansoni 3-keto-dihydrosphingosine reductase 0.0132 0.3658 0.3658
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0132 0.3658 1
Schistosoma mansoni retinal dehydrogenase 0.0132 0.3658 0.3658
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0132 0.3658 0.5467
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0132 0.3658 0.376
Trichomonas vaginalis estradiol 17 beta-dehydrogenase, putative 0.0132 0.3658 1
Toxoplasma gondii carbonyl reductase 1, putative 0.0132 0.3658 1
Schistosoma mansoni steroid dehydrogenase 0.0132 0.3658 0.3658
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.0132 0.3658 0.3658
Loa Loa (eye worm) hypothetical protein 0.0132 0.3658 0.3658
Trypanosoma cruzi hypothetical protein, conserved 0.0132 0.3658 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.0132 0.3658 1
Leishmania major quinonoid dihydropteridine reductase 0.0132 0.3658 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0047 0.0128
Mycobacterium ulcerans ketoacyl reductase 0.0132 0.3658 1
Leishmania major hypothetical protein, conserved 0.0132 0.3658 1
Schistosoma mansoni oxidoreductase short chain dehydrogenase/reductase family 0.0132 0.3658 0.3658
Schistosoma mansoni short chain dehydrogenase 0.0132 0.3658 0.3658
Schistosoma mansoni short-chain dehydrogenase/reductase 0.0132 0.3658 0.3658
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0132 0.3658 0.376
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0047 0.0128
Leishmania major oxidoreductase-like protein 0.0132 0.3658 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 0.3658
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0132 0.3658 1
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Echinococcus multilocularis carbonyl reductase 1 0.0132 0.3658 0.5467
Leishmania major 3-keto-dihydrosphingosine reductase 0.0132 0.3658 1
Onchocerca volvulus 0.0132 0.3658 0.3658
Brugia malayi hypothetical protein 0.0132 0.3658 0.3658
Leishmania major quinonoid dihydropteridine reductase 0.0132 0.3658 1
Echinococcus multilocularis steroid dehydrogenase 0.0132 0.3658 0.5467
Loa Loa (eye worm) hypothetical protein 0.0284 1 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.3658 0.3658
Echinococcus granulosus hypothetical protein 0.0132 0.3658 0.5467
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0132 0.3658 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0132 0.3658 0.376
Toxoplasma gondii sterol carrier protein-2 HAD-2SCP-2 0.0132 0.3658 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0132 0.3658 1
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0132 0.3658 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0132 0.3658 1
Schistosoma mansoni short chain dehydrogenase 0.0132 0.3658 0.3658
Onchocerca volvulus 0.0284 1 1
Echinococcus granulosus epidermal retinal dehydrogenase 2 0.0132 0.3658 0.5467
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0132 0.3658 1
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Brugia malayi dehydrogenases, short chain protein 9 0.0132 0.3658 0.3658
Onchocerca volvulus 0.0132 0.3658 0.3658
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 0.3658
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0132 0.3658 0.376
Mycobacterium tuberculosis Probable short chain alcohol dehydrogenase/reductase 0.0132 0.3658 0.376
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 0.3658
Plasmodium vivax steroid dehydrogenase, putative 0.0132 0.3658 1
Echinococcus granulosus carbonyl reductase 1 0.0132 0.3658 0.5467
Echinococcus granulosus steroid dehydrogenase 0.0132 0.3658 0.5467
Plasmodium falciparum steroid dehydrogenase, putative 0.0132 0.3658 0.5
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0132 0.3658 1
Schistosoma mansoni short chain dehydrogenase 0.0132 0.3658 0.3658
Trypanosoma brucei short-chain dehydrogenase, putative 0.0132 0.3658 1
Onchocerca volvulus 0.0132 0.3658 0.3658
Schistosoma mansoni short chain dehydrogenase 0.0132 0.3658 0.3658
Mycobacterium tuberculosis Probable dehydrogenase 0.0132 0.3658 0.376
Mycobacterium ulcerans short chain dehydrogenase 0.0132 0.3658 1
Loa Loa (eye worm) oxidoreductase 0.0132 0.3658 0.3658
Onchocerca volvulus 0.0132 0.3658 0.3658
Brugia malayi Dehydrogenases, short chain protein 30 0.0132 0.3658 0.3658
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 0.3658
Plasmodium falciparum oxidoreductase, short-chain dehydrogenase family, putative 0.0132 0.3658 0.5
Schistosoma mansoni short chain dehydrogenase 0.0132 0.3658 0.3658
Entamoeba histolytica 3-ketodihydrosphingosine reductase protein, putative 0.0132 0.3658 1
Echinococcus granulosus hypothetical protein 0.0132 0.3658 0.5467
Mycobacterium tuberculosis Probable short-chain type oxidoreductase 0.0132 0.3658 0.376
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 0.3658
Trypanosoma cruzi hypothetical protein, conserved 0.0132 0.3658 1
Leishmania major short chain dehydrogenase-like protein 0.0132 0.3658 1
Loa Loa (eye worm) dehydrogenase 0.0132 0.3658 0.3658
Loa Loa (eye worm) inositol-1 0.0045 0.0047 0.0047
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0132 0.3658 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7079 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) 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) = 1 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) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 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

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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