Detailed information for compound 1345096

Basic information

Technical information
  • TDR Targets ID: 1345096
  • Name: 1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]u rea
  • MW: 336.345 | Formula: C18H16N4O3
  • H donors: 3 H acceptors: 3 LogP: 2.4 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1cccc2c1nccc2)NNC(=O)Nc1ccccc1
  • InChi: 1S/C18H16N4O3/c23-16(21-22-18(24)20-14-8-2-1-3-9-14)12-25-15-10-4-6-13-7-5-11-19-17(13)15/h1-11H,12H2,(H,21,23)(H2,20,22,24)
  • InChiKey: QJJMRVDSIMGTOO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-phenyl-3-[[2-(8-quinolyloxy)acetyl]amino]urea
  • 3-[[1-oxo-2-(8-quinolyloxy)ethyl]amino]-1-phenylurea
  • 1-phenyl-3-(2-quinolin-8-yloxyethanoylamino)urea
  • MLS000679857
  • N-phenyl-2-[(8-quinolinyloxy)acetyl]hydrazinecarboxamide
  • SMR000296727
  • ZINC04811067

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Sus scrofa Calpain 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) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Calpain-A, putative Get druggable targets OG5_127139 All targets in OG5_127139
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K08585 calpain, invertebrate, putative Get druggable targets OG5_127139 All targets in OG5_127139
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
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
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
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus family C2 unassigned peptidase C02 family Get druggable targets OG5_127139 All targets in OG5_127139
Onchocerca volvulus Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis calpain family protein 1, d Get druggable targets OG5_127139 All targets in OG5_127139
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Calpain-1 catalytic subunit, putative Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
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 multilocularis calpain A Get druggable targets OG5_127139 All targets in OG5_127139
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus calpain A Calpain 2   324 aa 297 aa 27.6 %
Schistosoma mansoni calpain C (C02 family) Calpain 2   324 aa 319 aa 27.3 %
Echinococcus multilocularis hypothetical protein Calpain 2   324 aa 297 aa 27.9 %
Schistosoma mansoni calpain (C02 family) Calpain 2   324 aa 318 aa 24.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Plasmodium vivax hypothetical protein, conserved Calpain 2   324 aa 277 aa 19.9 %
Schistosoma japonicum Calpain-9, putative Calpain 2   324 aa 275 aa 27.6 %
Echinococcus granulosus calpain Calpain 2   324 aa 322 aa 31.7 %
Echinococcus multilocularis calpain Calpain 2   324 aa 320 aa 31.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0064 0.3508 1
Echinococcus granulosus WW domain containing oxidoreductase 0.0064 0.3508 0.3363
Onchocerca volvulus 0.0064 0.3508 1
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0064 0.3508 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Trypanosoma brucei 3-keto-dihydrosphingosine reductase 0.0064 0.3508 0.5
Schistosoma mansoni short chain dehydrogenase 0.0064 0.3508 0.3363
Mycobacterium tuberculosis Probable oxidoreductase 0.0064 0.3508 0.5
Brugia malayi calpain family protein 1 0.0078 0.8535 1
Toxoplasma gondii sterol carrier protein-2 HAD-2SCP-2 0.0064 0.3508 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Echinococcus multilocularis oxidoreductase 0.0064 0.3508 0.3508
Leishmania major hypothetical protein, conserved 0.0064 0.3508 0.5
Schistosoma mansoni short chain dehydrogenase 0.0064 0.3508 0.3363
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0064 0.3508 0.5
Schistosoma mansoni steroid dehydrogenase 0.0064 0.3508 0.3363
Loa Loa (eye worm) hypothetical protein 0.0064 0.3508 0.411
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Trypanosoma cruzi short chain dehydrogenase, putative 0.0064 0.3508 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0064 0.3508 0.5
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0064 0.3508 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0064 0.3508 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.3508 0.411
Toxoplasma gondii carbonyl reductase 1, putative 0.0064 0.3508 0.5
Trichomonas vaginalis estradiol 17 beta-dehydrogenase, putative 0.0064 0.3508 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0064 0.3508 0.5
Brugia malayi dehydrogenases, short chain protein 9 0.0064 0.3508 0.3956
Schistosoma mansoni carbonyl reductase 0.0064 0.3508 0.3363
Loa Loa (eye worm) dehydrogenase 0.0064 0.3508 0.411
Entamoeba histolytica hypothetical protein 0.0064 0.3508 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0064 0.3508 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.3956
Trypanosoma brucei short-chain dehydrogenase, putative 0.0064 0.3508 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.3956
Trypanosoma brucei oxidoreductase-like protein 0.0064 0.3508 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0064 0.3508 0.5
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0064 0.3508 0.5
Mycobacterium tuberculosis Probable short chain alcohol dehydrogenase/reductase 0.0064 0.3508 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Onchocerca volvulus 0.0064 0.3508 1
Mycobacterium ulcerans ketoacyl reductase 0.0064 0.3508 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0064 0.3508 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 0.8535 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0064 0.3508 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0064 0.3508 0.5
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0064 0.3508 0.3363
Onchocerca volvulus 0.0064 0.3508 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0078 0.8535 0.8502
Echinococcus granulosus carbonyl reductase 1 0.0064 0.3508 0.3363
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0064 0.3508 0.5
Echinococcus multilocularis 3 ketodihydrosphingosine reductase 0.0064 0.3508 0.3508
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0064 0.3508 0.5
Brugia malayi calpain family protein 1 0.0078 0.8535 1
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0064 0.3508 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0064 0.3508 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0064 0.3508 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0064 0.3508 0.3508
Onchocerca volvulus 0.0064 0.3508 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0064 0.3508 0.5
Toxoplasma gondii oxidoreductase, putative 0.0064 0.3508 0.5
Schistosoma mansoni steroid dehydrogenase 0.0064 0.3508 0.3363
Entamoeba histolytica hypothetical protein, conserved 0.0064 0.3508 0.5
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0064 0.3508 0.3956
Onchocerca volvulus Sepiapterin reductase homolog 0.0064 0.3508 1
Trichomonas vaginalis steroid dehydrogenase, putative 0.0064 0.3508 0.5
Loa Loa (eye worm) oxidoreductase 0.0064 0.3508 0.411
Mycobacterium tuberculosis Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 0.0064 0.3508 0.5
Brugia malayi oxidoreductase 0.0064 0.3508 0.3956
Echinococcus granulosus hypothetical protein 0.0064 0.3508 0.3363
Schistosoma mansoni steroid dehydrogenase 0.0064 0.3508 0.3363
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0064 0.3508 0.5
Brugia malayi hypothetical protein 0.0064 0.3508 0.3956
Trypanosoma cruzi hypothetical protein, conserved 0.0064 0.3508 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0064 0.3508 0.3508
Schistosoma mansoni short-chain dehydrogenase/reductase 0.0064 0.3508 0.3363
Trypanosoma cruzi hypothetical protein, conserved 0.0064 0.3508 0.5
Mycobacterium ulcerans dehydrogenase/decarboxylase protein 0.0064 0.3508 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0064 0.3508 0.5
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0064 0.3508 0.5
Loa Loa (eye worm) oxidoreductase 0.0064 0.3508 0.411
Schistosoma mansoni short chain dehydrogenase 0.0064 0.3508 0.3363
Loa Loa (eye worm) hypothetical protein 0.0078 0.8535 1
Leishmania major hypothetical protein, conserved 0.0064 0.3508 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.3956
Schistosoma mansoni short chain dehydrogenase 0.0064 0.3508 0.3363
Echinococcus multilocularis steroid dehydrogenase 0.0064 0.3508 0.3508
Onchocerca volvulus 0.0064 0.3508 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0218 0.0256
Brugia malayi Dehydrogenases, short chain protein 2 0.0064 0.3508 0.3956
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0064 0.3508 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.3956
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.3956
Loa Loa (eye worm) oxidoreductase 0.0064 0.3508 0.411
Echinococcus multilocularis epidermal retinal dehydrogenase 2 0.0064 0.3508 0.3508
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0064 0.3508 1
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 1 homolog 0.0064 0.3508 1
Entamoeba histolytica short chain dehydrogenase family protein 0.0064 0.3508 0.5
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0064 0.3508 0.5
Giardia lamblia Hypothetical protein 0.0064 0.3508 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.3508 0.411
Schistosoma mansoni carbonyl reductase 0.0064 0.3508 0.3363
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0064 0.3508 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.3956
Echinococcus multilocularis steroid dehydrogenase 0.0064 0.3508 0.3508
Mycobacterium tuberculosis Possible iron-regulated short-chain dehydrogenase/reductase 0.0064 0.3508 0.5
Trypanosoma cruzi short chain dehydrogenase, putative 0.0064 0.3508 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.3956
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Schistosoma mansoni short chain dehydrogenase 0.0064 0.3508 0.3363
Loa Loa (eye worm) hypothetical protein 0.0064 0.3508 0.411
Mycobacterium ulcerans dehydrogenase 0.0064 0.3508 0.5
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0064 0.3508 0.3508
Entamoeba histolytica 3-ketodihydrosphingosine reductase protein, putative 0.0064 0.3508 0.5
Brugia malayi Dehydrogenases, short chain protein 30 0.0064 0.3508 0.3956
Leishmania major 3-keto-dihydrosphingosine reductase 0.0064 0.3508 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0064 0.3508 0.5
Leishmania major short chain dehydrogenase/reductase, putative 0.0064 0.3508 0.5
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0064 0.3508 1
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Loa Loa (eye worm) oxidoreductase 0.0064 0.3508 0.411
Leishmania major short chain dehydrogenase/reductase, putative 0.0064 0.3508 0.5
Mycobacterium tuberculosis Probable shortchain dehydrogenase 0.0064 0.3508 0.5
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0064 0.3508 0.5
Trichomonas vaginalis short-chain dehydrogenases/reductase, putative 0.0064 0.3508 0.5
Schistosoma mansoni short chain dehydrogenase 0.0064 0.3508 0.3363
Leishmania major pteridine reductase 1 0.0064 0.3508 0.5
Brugia malayi dehydrogenases, short chain protein 2 0.0064 0.3508 0.3956
Plasmodium vivax steroid dehydrogenase, putative 0.0064 0.3508 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0064 0.3508 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0064 0.3508 0.5
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.0064 0.3508 0.3956
Leishmania major hypothetical protein, conserved 0.0064 0.3508 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.3956
Onchocerca volvulus 0.0064 0.3508 1
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0064 0.3508 0.5
Mycobacterium ulcerans carveol-like dehydrogenase 0.0064 0.3508 0.5
Echinococcus granulosus carbonyl reductase 1 0.0064 0.3508 0.3363
Schistosoma mansoni short chain dehydrogenase 0.0064 0.3508 0.3363
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.3956
Onchocerca volvulus 0.0064 0.3508 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.3956
Plasmodium falciparum oxidoreductase, short-chain dehydrogenase family, putative 0.0064 0.3508 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Loa Loa (eye worm) oxidoreductase 0.0064 0.3508 0.411
Echinococcus multilocularis Dehydrogenase:reductase SDR family 0.0064 0.3508 0.3508
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0082 1 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0064 0.3508 0.5
Echinococcus granulosus retinol dehydrogenase 11 0.0064 0.3508 0.3363
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.3956
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0064 0.3508 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0064 0.3508 0.3508
Loa Loa (eye worm) hypothetical protein 0.0064 0.3508 0.411
Echinococcus multilocularis calpain A 0.0082 1 1
Echinococcus granulosus epidermal retinal dehydrogenase 2 0.0064 0.3508 0.3363
Schistosoma mansoni steroid dehydrogenase 0.0064 0.3508 0.3363
Mycobacterium ulcerans short-chain dehydrogenase 0.0064 0.3508 0.5
Schistosoma mansoni short chain dehydrogenase 0.0064 0.3508 0.3363
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0064 0.3508 0.5
Schistosoma mansoni steroid dehydrogenase 0.0064 0.3508 0.3363
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.5
Loa Loa (eye worm) oxidoreductase 0.0064 0.3508 0.411
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.0064 0.3508 0.3956
Onchocerca volvulus 0.0064 0.3508 1
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0064 0.3508 0.5
Mycobacterium tuberculosis Possible fatty acyl-CoA reductase 0.0064 0.3508 0.5
Echinococcus granulosus hypothetical protein 0.0064 0.3508 0.3363
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0064 0.3508 0.5
Loa Loa (eye worm) dehydrogenase 0.0064 0.3508 0.411
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0218 0.0218
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.5
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.0064 0.3508 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Onchocerca volvulus 0.0064 0.3508 1
Echinococcus granulosus oxidoreductase 0.0064 0.3508 0.3363
Schistosoma mansoni carbonyl reductase 0.0064 0.3508 0.3363
Onchocerca volvulus 0.0064 0.3508 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0064 0.3508 0.5
Echinococcus granulosus steroid dehydrogenase 0.0064 0.3508 0.3363
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0064 0.3508 0.5
Leishmania major short chain dehydrogenase, putative 0.0064 0.3508 0.5
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0064 0.3508 0.3363
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Leishmania major short chain dehydrogenase, putative 0.0064 0.3508 0.5
Schistosoma mansoni oxidoreductase short chain dehydrogenase/reductase family 0.0064 0.3508 0.3363
Toxoplasma gondii oxidoreductase, putative 0.0064 0.3508 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.3956
Loa Loa (eye worm) oxidoreductase 0.0064 0.3508 0.411
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0064 0.3508 0.5
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0064 0.3508 0.411
Echinococcus multilocularis retinol dehydrogenase 11 0.0064 0.3508 0.3508
Mycobacterium tuberculosis Probable short-chain dehydrogenase/reductase 0.0064 0.3508 0.5
Leishmania major short chain dehydrogenase-like protein 0.0064 0.3508 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0064 0.3508 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0064 0.3508 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Brugia malayi Retinol dehydrogenase 12 0.0064 0.3508 0.3956
Loa Loa (eye worm) hypothetical protein 0.0064 0.3508 0.411
Trypanosoma brucei beta-ketoacyl-ACP reductase 3, putative 0.0064 0.3508 0.5
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0064 0.3508 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.3956
Schistosoma mansoni short chain dehydrogenase 0.0064 0.3508 0.3363
Schistosoma mansoni 3-keto-dihydrosphingosine reductase 0.0064 0.3508 0.3363
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Schistosoma mansoni retinal dehydrogenase 0.0064 0.3508 0.3363
Brugia malayi hypothetical protein 0.0064 0.3508 0.3956
Mycobacterium ulcerans oxidoreductase 0.0064 0.3508 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0064 0.3508 0.3508
Mycobacterium tuberculosis Probable oxidoreductase 0.0064 0.3508 0.5
Mycobacterium ulcerans short-chain type oxidoreductase 0.0064 0.3508 0.5
Schistosoma mansoni steroid dehydrogenase 0.0064 0.3508 0.3363
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0064 0.3508 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0064 0.3508 0.5
Leishmania major oxidoreductase-like protein 0.0064 0.3508 0.5
Mycobacterium ulcerans oxidoreductase 0.0064 0.3508 0.5
Loa Loa (eye worm) oxidoreductase 0.0064 0.3508 0.411
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0064 0.3508 0.5
Mycobacterium leprae PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE 0.0064 0.3508 0.5
Mycobacterium tuberculosis Decaprenylphosphoryl-D-2-keto erythro pentose reductase 0.0064 0.3508 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.3508 0.411
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.3956
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0064 0.3508 0.5
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0064 0.3508 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Trypanosoma brucei 3-ketoacyl-CoA reductase, putative 0.0064 0.3508 0.5
Trichomonas vaginalis hydroxyacyl dehydrogenase, putative 0.0064 0.3508 0.5
Trypanosoma brucei beta-D-hydroxybutyrate dehydrogenase 0.0064 0.3508 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0064 0.3508 0.3508
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Plasmodium vivax hypothetical protein, conserved 0.0064 0.3508 0.5
Mycobacterium ulcerans short-chain membrane-associated dehydrogenase 0.0064 0.3508 0.5
Schistosoma mansoni steroid dehydrogenase 0.0064 0.3508 0.3363
Schistosoma mansoni steroid dehydrogenase 0.0064 0.3508 0.3363
Giardia lamblia Reductase, putative 0.0064 0.3508 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0064 0.3508 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0064 0.3508 0.5
Echinococcus granulosus 3 ketodihydrosphingosine reductase 0.0064 0.3508 0.3363
Plasmodium falciparum steroid dehydrogenase, putative 0.0064 0.3508 0.5
Onchocerca volvulus 0.0064 0.3508 1
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Mycobacterium leprae ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE 0.0064 0.3508 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0064 0.3508 0.5
Onchocerca volvulus 0.0064 0.3508 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.3956
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0064 0.3508 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.3956
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 1 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0064 0.3508 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Schistosoma mansoni steroid dehydrogenase 0.0064 0.3508 0.3363
Schistosoma mansoni short chain dehydrogenase 0.0064 0.3508 0.3363
Mycobacterium tuberculosis Probable oxidoreductase 0.0064 0.3508 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.3956
Schistosoma mansoni short chain dehydrogenase 0.0064 0.3508 0.3363
Mycobacterium tuberculosis Possible ketoacyl reductase 0.0064 0.3508 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0064 0.3508 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0064 0.3508 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0064 0.3508 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0064 0.3508 0.5
Schistosoma mansoni steroid dehydrogenase 0.0064 0.3508 0.3363
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Schistosoma mansoni short chain dehydrogenase 0.0064 0.3508 0.3363
Echinococcus multilocularis conserved hypothetical protein 0.0064 0.3508 0.3508
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Toxoplasma gondii 3-ketoacyl-CoA reductase, putative 0.0064 0.3508 0.5
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0064 0.3508 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0064 0.3508 0.5
Giardia lamblia Short-chain dehydrogenase, putative 0.0064 0.3508 0.5
Echinococcus granulosus retinol dehydrogenase 11 0.0064 0.3508 0.3363
Trypanosoma brucei beta-ketoacyl-ACP reductase 2 0.0064 0.3508 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0064 0.3508 0.5
Schistosoma mansoni short chain dehydrogenase 0.0064 0.3508 0.3363
Echinococcus multilocularis retinol dehydrogenase 11 0.0064 0.3508 0.3508
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0064 0.3508 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.3508 0.411
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.3508 0.3956
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.3508 0.411
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Schistosoma mansoni short chain dehydrogenase 0.0064 0.3508 0.3363
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0218 0.0218
Mycobacterium tuberculosis Probable short-chain type oxidoreductase 0.0064 0.3508 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Schistosoma mansoni short chain dehydrogenase 0.0064 0.3508 0.3363
Loa Loa (eye worm) hypothetical protein 0.0064 0.3508 0.411
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0082 1 1
Leishmania major hypothetical protein, conserved 0.0064 0.3508 0.5
Mycobacterium leprae Probable oxidoreductase 0.0064 0.3508 0.5
Echinococcus multilocularis retinol dehydrogenase 13 0.0064 0.3508 0.3508
Leishmania major quinonoid dihydropteridine reductase 0.0064 0.3508 0.5
Entamoeba histolytica short chain dehydrogenase family protein 0.0064 0.3508 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0064 0.3508 0.5
Loa Loa (eye worm) calpain family protein 1 0.0078 0.8535 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 1 1
Leishmania major dehydrogenase-like protein 0.0064 0.3508 0.5
Echinococcus granulosus carbonyl reductase 1 0.0064 0.3508 0.3363
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Leishmania major hypothetical protein, conserved 0.0064 0.3508 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Mycobacterium ulcerans dehydrogenase/reductase 0.0064 0.3508 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0064 0.3508 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.3508 0.411
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0064 0.3508 0.5
Loa Loa (eye worm) oxidoreductase 0.0064 0.3508 0.411
Echinococcus granulosus carbonyl reductase 1 0.0064 0.3508 0.3363
Entamoeba histolytica hypothetical protein, conserved 0.0064 0.3508 0.5
Entamoeba histolytica oxidoreductase, short chain dehydrogenase/reductase family 0.0064 0.3508 0.5
Echinococcus granulosus Dehydrogenase:reductase SDR family 0.0064 0.3508 0.3363
Echinococcus multilocularis estradiol 17 beta dehydrogenase 12 0.0064 0.3508 0.3508
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.3508 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.3508 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) < 0.4 um PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1236 (Primary screen preceding this confirmatory assay.)] ChEMBL. No reference
Potency (functional) 0.0165 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) 19.9526 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

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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