Detailed information for compound 1254152

Basic information

Technical information
  • TDR Targets ID: 1254152
  • Name: 3-fluoro-4-pyrrolidin-1-ylbenzaldehyde
  • MW: 193.217 | Formula: C11H12FNO
  • H donors: 0 H acceptors: 1 LogP: 2.1 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1ccc(c(c1)F)N1CCCC1
  • InChi: 1S/C11H12FNO/c12-10-7-9(8-14)3-4-11(10)13-5-1-2-6-13/h3-4,7-8H,1-2,5-6H2
  • InChiKey: DAPLSJXIJFYSAC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-Fluoro-4-pyrrolidin-1-yl-benzaldehyde
  • 3-fluoro-4-1-pyrrolidinylbenzaldehyde
  • ST5278818
  • MLS000528899
  • SMR000121374
  • ZINC00797102
  • BAS 05999158

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 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
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative 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
Trypanosoma brucei 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
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable 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 Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis inositol monophosphatase 1 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
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 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
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, 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
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative 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
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans 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
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase 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
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein 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
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, 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
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase 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
Entamoeba histolytica myo-inositol monophosphatase, putative 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
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
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 306 aa 22.5 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
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 Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
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 Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus cathepsin L cysteine protease 0.0082 0.1292 0.0342
Plasmodium vivax vivapain-2 0.015 0.3838 1
Giardia lamblia Cathepsin B precursor 0.0122 0.2786 0.5
Echinococcus multilocularis cysteine protease 0.015 0.3838 0.3166
Brugia malayi Cathepsin L-like precursor 0.015 0.3838 0.3838
Plasmodium vivax vivapain-2 0.015 0.3838 1
Schistosoma mansoni cathepsin F (C01 family) 0.015 0.3838 0.3838
Loa Loa (eye worm) ctsf protein 0.015 0.3838 0.3838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.3838 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.2102 0.2102
Schistosoma mansoni cathepsin F (C01 family) 0.0103 0.2102 0.2102
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.015 0.3838 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0984 0.5
Leishmania major cathepsin L-like protease 0.015 0.3838 1
Loa Loa (eye worm) hypothetical protein 0.015 0.3838 0.3838
Schistosoma mansoni hypothetical protein 0.0058 0.0425 0.0425
Brugia malayi Cathepsin L-like cysteine proteinase 0.0103 0.2102 0.2102
Brugia malayi Papain family cysteine protease containing protein 0.015 0.3838 0.3838
Giardia lamblia Cathepsin B precursor 0.0122 0.2786 0.5
Brugia malayi Muscleblind-like protein 0.018 0.4956 0.4956
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.3838 1
Brugia malayi Cathepsin L-like precursor 0.015 0.3838 0.3838
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.015 0.3838 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.3838 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.015 0.3838 1
Plasmodium vivax unspecified product 0.0082 0.1292 0.3366
Plasmodium falciparum cysteine proteinase falcipain 3 0.015 0.3838 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.015 0.3838 1
Echinococcus granulosus cathepsin l1 0.015 0.3838 0.3166
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0082 0.1292 0.1292
Brugia malayi Cathepsin L-like precursor 0.015 0.3838 0.3838
Loa Loa (eye worm) papain family cysteine protease containing protein 0.015 0.3838 0.3838
Toxoplasma gondii cathepsin CPL 0.015 0.3838 1
Leishmania major cathepsin L-like protease 0.015 0.3838 1
Trypanosoma cruzi cysteine peptidase, putative 0.015 0.3838 0.3838
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.015 0.3838 1
Brugia malayi Cathepsin L-like precursor 0.015 0.3838 0.3838
Onchocerca volvulus 0.015 0.3838 1
Echinococcus multilocularis cathepsin L 0.0082 0.1292 0.0342
Echinococcus multilocularis cathepsin l cysteine peptidase 0.015 0.3838 0.3166
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0984 0.5
Leishmania major cathepsin L-like protease 0.015 0.3838 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.015 0.3838 1
Trypanosoma cruzi cysteine peptidase, putative 0.0082 0.1292 0.1292
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0316 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.015 0.3838 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0122 0.2786 0.5868
Trypanosoma cruzi cysteine proteinase, putative 0.0082 0.1292 0.1292
Trypanosoma cruzi cysteine proteinase, putative 0.0082 0.1292 0.1292
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.015 0.3838 1
Brugia malayi Papain family cysteine protease containing protein 0.0082 0.1292 0.1292
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.3838 1
Echinococcus multilocularis cathepsin b 0.0316 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.015 0.3838 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.8857 0.8732
Leishmania major cathepsin L-like protease 0.015 0.3838 1
Toxoplasma gondii cathepsin B 0.0122 0.2786 0.6314
Onchocerca volvulus 0.0103 0.2102 0.4914
Loa Loa (eye worm) hypothetical protein 0.0316 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0103 0.2102 0.2102
Leishmania major cysteine peptidase A (CPA) 0.015 0.3838 1
Plasmodium vivax vivapain-1 0.0082 0.1292 0.3366
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.015 0.3838 1
Giardia lamblia Cathepsin B precursor 0.0122 0.2786 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.3838 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.015 0.3838 1
Leishmania major cathepsin L-like protease 0.015 0.3838 1
Loa Loa (eye worm) hypothetical protein 0.018 0.4956 0.4956
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.3838 1
Trypanosoma cruzi cysteine protease, putative 0.0082 0.1292 0.1292
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0984 0.5
Leishmania major cathepsin L-like protease 0.015 0.3838 1
Brugia malayi Cathepsin L-like precursor 0.0103 0.2102 0.2102
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.015 0.3838 1
Loa Loa (eye worm) hypothetical protein 0.018 0.4956 0.4956
Onchocerca volvulus Cathepsin L homolog 0.015 0.3838 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0984 0.5
Entamoeba histolytica cysteine proteinase, putative 0.015 0.3838 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.015 0.3838 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.0425 0.0425
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.015 0.3838 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.015 0.3838 1
Leishmania major cathepsin L-like protease 0.015 0.3838 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.015 0.3838 1
Trypanosoma cruzi cysteine peptidase, putative 0.015 0.3838 0.3838
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0316 1 1
Echinococcus granulosus cathepsin b 0.0316 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0122 0.2786 0.2786
Brugia malayi hypothetical protein 0.0286 0.8857 0.8857
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.015 0.3838 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.3838 1
Echinococcus multilocularis cathepsin L cysteine protease 0.015 0.3838 0.3166
Echinococcus granulosus muscleblind protein 0.018 0.4956 0.4405
Brugia malayi cathepsin L-like precursor 0.0103 0.2102 0.2102
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.015 0.3838 1
Schistosoma mansoni hypothetical protein 0.0205 0.5855 0.5855
Echinococcus granulosus geminin 0.0205 0.5855 0.5402
Loa Loa (eye worm) fibroinase 0.015 0.3838 0.3838
Echinococcus granulosus cathepsin L 0.0082 0.1292 0.0342
Brugia malayi Cathepsin L-like precursor 0.015 0.3838 0.3838
Entamoeba histolytica cysteine protease, putative 0.015 0.3838 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.015 0.3838 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.3838 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0316 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0082 0.1292 0.1292
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.3838 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.015 0.3838 0.3166
Plasmodium falciparum cysteine proteinase falcipain 2a 0.015 0.3838 1
Echinococcus multilocularis muscleblind protein 0.018 0.4956 0.4405
Entamoeba histolytica cysteine proteinase, putative 0.015 0.3838 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0103 0.2102 0.3182
Onchocerca volvulus Cathepsin L homolog 0.015 0.3838 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0984 0.0984
Onchocerca volvulus 0.015 0.3838 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0082 0.1292 0.1292
Loa Loa (eye worm) hypothetical protein 0.0103 0.2102 0.2102
Entamoeba histolytica cysteine proteinase, putative 0.0103 0.2102 0.3182
Brugia malayi Papain family cysteine protease containing protein 0.0082 0.1292 0.1292
Onchocerca volvulus 0.015 0.3838 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.015 0.3838 1
Echinococcus multilocularis cathepsin L cysteine protease 0.015 0.3838 0.3166
Loa Loa (eye worm) hypothetical protein 0.0286 0.8857 0.8857
Onchocerca volvulus 0.015 0.3838 1
Trypanosoma cruzi cysteine peptidase, putative 0.015 0.3838 0.3838
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0122 0.2786 0.2786
Onchocerca volvulus 0.015 0.3838 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.3838 1
Echinococcus multilocularis cysteine protease 0.015 0.3838 0.3166
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0316 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.015 0.3838 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.015 0.3838 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0082 0.1292 0.1292
Echinococcus granulosus cathepsin b 0.0316 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.015 0.3838 0.3838
Onchocerca volvulus 0.015 0.3838 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.015 0.3838 1
Plasmodium vivax vivapain-3 0.0082 0.1292 0.3366
Echinococcus multilocularis cathepsin l cysteine peptidase 0.015 0.3838 0.3166
Echinococcus granulosus cathepsin l1 0.0103 0.2102 0.124
Brugia malayi Cathepsin L-like precursor 0.015 0.3838 0.3838
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.015 0.3838 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.2102 0.2102
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.015 0.3838 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0316 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.015 0.3838 0.3838
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0984 0.0984
Loa Loa (eye worm) cathepsin B 0.0122 0.2786 0.2786
Onchocerca volvulus 0.015 0.3838 1
Echinococcus multilocularis cathepsin b 0.0316 1 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.4956 0.4405
Brugia malayi Cathepsin L-like precursor 0.0103 0.2102 0.2102
Echinococcus granulosus cysteine protease 0.0082 0.1292 0.0342
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0122 0.2786 0.6314
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0425 0.0425
Trypanosoma brucei cysteine peptidase C (CPC) 0.0122 0.2786 0.5868
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.8857 0.8732
Echinococcus granulosus cathepsin L cysteine proteinase 0.015 0.3838 0.3166
Schistosoma mansoni hypothetical protein 0.0205 0.5855 0.5855
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.3838 1
Onchocerca volvulus Cathepsin F homolog 0.015 0.3838 1
Leishmania major cathepsin L-like protease 0.015 0.3838 1
Trypanosoma cruzi cysteine peptidase, putative 0.015 0.3838 0.3838
Loa Loa (eye worm) cysteine protease 0.015 0.3838 0.3838
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.015 0.3838 0.3838
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.015 0.3838 1
Echinococcus multilocularis geminin 0.0205 0.5855 0.5402
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0103 0.2102 0.3182

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.5849 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) = 3.1623 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 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
Potency (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) 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

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

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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