Detailed information for compound 1315891

Basic information

Technical information
  • TDR Targets ID: 1315891
  • Name: 2-(2-chloro-4-fluorophenoxy)-N-(3,5-dimethyl- 1-phenylpyrazol-4-yl)acetamide
  • MW: 373.809 | Formula: C19H17ClFN3O2
  • H donors: 1 H acceptors: 2 LogP: 4.29 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c(C)nn(c1C)c1ccccc1)COc1ccc(cc1Cl)F
  • InChi: 1S/C19H17ClFN3O2/c1-12-19(13(2)24(23-12)15-6-4-3-5-7-15)22-18(25)11-26-17-9-8-14(21)10-16(17)20/h3-10H,11H2,1-2H3,(H,22,25)
  • InChiKey: UBJBODGKCXJMJM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-chloro-4-fluoro-phenoxy)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide
  • 2-(2-chloro-4-fluorophenoxy)-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide
  • 2-(2-chloro-4-fluoro-phenoxy)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide
  • MLS000417701
  • SMR000264633
  • ZINC03418130
  • T5329867

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
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
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
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 japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0126 0.1032
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0126 0.1032
Brugia malayi hypothetical protein 0.0037 0.0601 0.0749
Entamoeba histolytica hypothetical protein 0.0037 0.0601 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0126 0.1032
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.163 0.5483
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0135 0.3351 0.3326
Loa Loa (eye worm) hypothetical protein 0.0023 0.0214 0.0283
Loa Loa (eye worm) hypothetical protein 0.0023 0.0214 0.0283
Loa Loa (eye worm) acetylcholinesterase 1 0.0135 0.3351 0.4423
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0126 0.0308
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0126 0.1032
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.2605 0.8837
Schistosoma mansoni neuroligin 3 (S09 family) 0.0023 0.0214 0.0178
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.2164 0.2135
Mycobacterium ulcerans glutaminase 0.0274 0.7253 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.0489 0.0454
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.163 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.2943 1
Brugia malayi Carboxylesterase family protein 0.0135 0.3351 0.4396
Trypanosoma brucei trypanothione reductase 0.0047 0.0904 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0023 0.0214 0.0178
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0126 0.1032
Loa Loa (eye worm) hypothetical protein 0.0023 0.0214 0.0283
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0904 1
Echinococcus multilocularis acetylcholinesterase 0.0135 0.3351 0.3339
Echinococcus multilocularis dna polymerase kappa 0.002 0.0126 0.011
Trichomonas vaginalis glutaminase, putative 0.0274 0.7253 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0126 0.0562
Echinococcus multilocularis musashi 0.0033 0.0489 0.0473
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0214 0.0178
Brugia malayi Carboxylesterase family protein 0.0023 0.0214 0.0236
Echinococcus granulosus intermediate filament protein 0.0033 0.0489 0.0473
Echinococcus multilocularis dna polymerase eta 0.002 0.0126 0.011
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.2164 0.2151
Echinococcus multilocularis para nitrobenzyl esterase 0.0023 0.0214 0.0198
Echinococcus multilocularis lamin dm0 0.0033 0.0489 0.0473
Treponema pallidum NADH oxidase 0.0016 0.0037 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.2164 0.2151
Schistosoma mansoni gliotactin 0.0023 0.0214 0.0178
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.2164 0.2135
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0126 0.0167
Onchocerca volvulus 0.0033 0.0489 0.2762
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0601 0.0586
Schistosoma mansoni DNA polymerase eta 0.002 0.0126 0.009
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0904 0.0889
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.2943 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0023 0.0214 0.0198
Echinococcus granulosus BC026374 protein S09 family 0.0023 0.0214 0.0198
Echinococcus granulosus para nitrobenzyl esterase 0.0023 0.0214 0.0198
Schistosoma mansoni hypothetical protein 0.0037 0.0601 0.0567
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.163 0.16
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.2164 0.2857
Brugia malayi hypothetical protein 0.0023 0.0214 0.0236
Onchocerca volvulus 0.0033 0.0489 0.2762
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0126 0.1032
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.163 0.2209
Plasmodium falciparum glutathione reductase 0.0047 0.0904 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0472 0.0623
Echinococcus multilocularis acetylcholinesterase 0.0135 0.3351 0.3339
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0037 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0126 0.1032
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.163 0.2209
Echinococcus multilocularis neuroligin 0.0023 0.0214 0.0198
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0126 0.0119
Echinococcus multilocularis geminin 0.0172 0.4403 0.4394
Schistosoma mansoni glutaminase 0.0274 0.7253 0.7243
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0022
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0037 0.5
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0126 0.0124
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0126 0.1032
Brugia malayi hypothetical protein 0.0286 0.7575 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0126 0.1032
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0904 1
Plasmodium vivax glutathione reductase, putative 0.0047 0.0904 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0126 0.1032
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.2605 0.8837
Toxoplasma gondii thioredoxin reductase 0.0047 0.0904 0.5444
Schistosoma mansoni acetylcholinesterase 0.0023 0.0214 0.0178
Loa Loa (eye worm) hypothetical protein 0.0135 0.3351 0.4423
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.2605 0.8837
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0037 0.5
Loa Loa (eye worm) glutathione reductase 0.0047 0.0904 0.1194
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0126 0.009
Brugia malayi Thioredoxin reductase 0.0047 0.0904 0.1151
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1208 0.1554
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0126 0.0124
Schistosoma mansoni lamin 0.0033 0.0489 0.0454
Brugia malayi Carboxylesterase family protein 0.0023 0.0214 0.0236
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0126 0.1032
Echinococcus granulosus geminin 0.0172 0.4403 0.4394
Mycobacterium tuberculosis Probable reductase 0.0108 0.2605 0.8837
Brugia malayi glutathione reductase 0.0047 0.0904 0.1151
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0126 0.1032
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.2164 0.2135
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.163 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0126 0.1032
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.163 0.2209
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0126 0.0308
Echinococcus multilocularis carboxylesterase 5A 0.0135 0.3351 0.3339
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.2943 1
Schistosoma mansoni hypothetical protein 0.0172 0.4403 0.4383
Loa Loa (eye worm) hypothetical protein 0.0023 0.0214 0.0283
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0037 0.002
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0126 0.1032
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.2164 0.2151
Loa Loa (eye worm) hypothetical protein 0.002 0.0126 0.0167
Brugia malayi Carboxylesterase family protein 0.0135 0.3351 0.4396
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0126 0.0119
Echinococcus granulosus lamin 0.0033 0.0489 0.0473
Echinococcus granulosus lamin dm0 0.0033 0.0489 0.0473
Mycobacterium tuberculosis Carboxylesterase LipT 0.0023 0.0214 0.0611
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0904 0.1194
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.7575 0.7571
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0126 0.0124
Leishmania major DNA polymerase kappa, putative 0.002 0.0126 0.0562
Schistosoma mansoni lamin 0.0033 0.0489 0.0454
Loa Loa (eye worm) hypothetical protein 0.0023 0.0214 0.0283
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0126 0.011
Echinococcus granulosus acetylcholinesterase 0.0135 0.3351 0.3339
Brugia malayi Carboxylesterase family protein 0.0023 0.0214 0.0236
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0126 0.1032
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.7575 0.7571
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0214 0.0611
Brugia malayi intermediate filament protein 0.0033 0.0489 0.06
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0489 0.0645
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.163 0.1616
Loa Loa (eye worm) hypothetical protein 0.0286 0.7575 1
Loa Loa (eye worm) carboxylesterase 0.0023 0.0214 0.0283
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0126 0.009
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0214 0.0178
Echinococcus multilocularis lamin 0.0033 0.0489 0.0473
Leishmania major DNA polymerase eta, putative 0.002 0.0126 0.0562
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0904 0.0889
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0023 0.0214 0.0198
Brugia malayi glutaminase DH11.1 0.0274 0.7253 0.9573
Loa Loa (eye worm) carboxylesterase 0.0135 0.3351 0.4423
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0489 0.0645
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.2164 0.2822
Echinococcus granulosus carboxylesterase 5A 0.0135 0.3351 0.3339
Loa Loa (eye worm) carboxylesterase 0.0023 0.0214 0.0283
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0126 0.1032
Schistosoma mansoni survival motor neuron protein 0.0058 0.1208 0.1176
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0214 0.0178
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0126 0.1032
Mycobacterium ulcerans carboxylesterase, LipT 0.0023 0.0214 0.0246
Echinococcus granulosus dna polymerase eta 0.002 0.0126 0.011
Loa Loa (eye worm) glutaminase 2 0.0274 0.7253 0.9575
Loa Loa (eye worm) hypothetical protein 0.0023 0.0214 0.0283
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.2164 0.2151
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0023 0.0214 0.0246
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0601 0.0567
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.163 0.1616
Schistosoma mansoni hypothetical protein 0.0172 0.4403 0.4383
Schistosoma mansoni hypothetical protein 0.0058 0.1208 0.1176
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.2605 0.8837
Entamoeba histolytica hypothetical protein 0.0037 0.0601 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0126 0.011
Trichomonas vaginalis spcc417.12 protein, putative 0.0023 0.0214 0.0246
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0126 0.0124
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0065 0.0086
Loa Loa (eye worm) hypothetical protein 0.0033 0.0489 0.0645
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.2943 1
Echinococcus granulosus dna polymerase kappa 0.002 0.0126 0.011
Giardia lamblia DINP protein human, muc B family 0.002 0.0126 1
Echinococcus granulosus acetylcholinesterase 0.0135 0.3351 0.3339
Trypanosoma brucei unspecified product 0.002 0.0126 0.1032
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0065 0.0038
Entamoeba histolytica hypothetical protein 0.0037 0.0601 1
Onchocerca volvulus 0.0058 0.1208 1
Brugia malayi Carboxylesterase family protein 0.0023 0.0214 0.0236
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0126 0.1032
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0601 0.0586
Loa Loa (eye worm) hypothetical protein 0.0023 0.0214 0.0283
Entamoeba histolytica hypothetical protein 0.0037 0.0601 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0023 0.0214 0.0198
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.163 0.16
Leishmania major trypanothione reductase 0.0047 0.0904 0.5444
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0126 0.1032
Echinococcus granulosus neuroligin 0.0023 0.0214 0.0198
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.2605 0.8837
Plasmodium falciparum thioredoxin reductase 0.0047 0.0904 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0214 0.0611
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0489 0.06
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0037 0.002
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0904 0.2985
Loa Loa (eye worm) hypothetical protein 0.0135 0.3351 0.4423
Loa Loa (eye worm) glutaminase 0.0274 0.7253 0.9575

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 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) = 19.9526 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) 22.3872 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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