Detailed information for compound 1450483

Basic information

Technical information
  • TDR Targets ID: 1450483
  • Name: 4-methoxybenzohydrazide
  • MW: 166.177 | Formula: C8H10N2O2
  • H donors: 2 H acceptors: 1 LogP: 0.42 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNC(=O)c1ccc(cc1)OC
  • InChi: 1S/C8H10N2O2/c1-12-7-4-2-6(3-5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
  • InChiKey: REKQLYUAUXYJSZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3290-99-1
  • Benzoic acid, p-methoxy-, hydrazide
  • Hydrazine, 4-methoxybenzoyl-
  • NSC76223
  • WLN: ZMVR DO1
  • p-Anisic acid, hydrazide
  • p-Anisoylhydrazine
  • p-Methoxybenzoic acid hydrazide
  • EINECS 221-952-5
  • ZINC00152536
  • Oprea1_834050
  • 4-10-00-00454 (Beilstein Handbook Reference)
  • 4-Methoxybenzoyl hydrazide
  • 4-Methoxybenzoylhydrazine
  • Anisic acid hydrazide
  • Anisic hydrazide
  • Anisoylhydrazine
  • BRN 0389017
  • Benzoic acid, 4-methoxy-, hydrazide (9CI)
  • 558346_ALDRICH
  • NSC 76223
  • p-Anisic hydrazide
  • p-Anisohydrazide
  • p-Methoxybenzoic hydrazide
  • 4-Methoxybenzhydrazide
  • p-Anisic acid hydrazide
  • 4-Methoxybenzoic acid, hydrazide
  • 4MeOPhCON2
  • AIDS-009024
  • AIDS009024
  • ST5214615
  • 4-methoxybenzene-1-carbohydrazide
  • MLS000833598
  • SMR000457119
  • Oprea1_578754
  • ARONIS019222
  • (4-Methoxybenzoyl)hydrazide
  • (4-Methoxybenzoyl)hydrazine
  • (p-Methoxybenzoyl)hydrazine
  • 4-Methoxybenzoic acid hydrazide
  • Benzoic acid, 4-methoxy-, hydrazide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens carbonic anhydrase II Starlite/ChEMBL References
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens carbonic anhydrase I Starlite/ChEMBL References
Capra hircus Cathepsin B Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania mexicana cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Brugia malayi cathepsin B-like cysteine proteinase Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi Eukaryotic-type carbonic anhydrase family protein Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus granulosus cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi Putative carbonic anhydrase 5 precursor Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus granulosus carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) carbonic anhydrase 3 Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania major carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Toxoplasma gondii cathepsin B Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania infantum cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma brucei gambiense cysteine peptidase C (CPC), putative,CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like, putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus granulosus cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma brucei carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Neospora caninum Cathepsin B-like protease (Precursor), related Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma cruzi cysteine peptidase C (CPC), putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania mexicana carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania braziliensis cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) cathepsin B Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni SmCB2 peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania infantum carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma brucei gambiense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania donovani carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania braziliensis carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma japonicum ko:K01363 cathepsin B [EC3.4.22.1], putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma cruzi cysteine peptidase C (CPC), putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma brucei cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 271 aa 26.9 %
Cryptosporidium hominis preprocathepsin c precursor Cathepsin B   335 aa 278 aa 29.5 %
Plasmodium falciparum cysteine proteinase falcipain 1 Cathepsin B   335 aa 297 aa 22.9 %
Dictyostelium discoideum cathepsin L-like proteinase Cathepsin B   335 aa 318 aa 25.5 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 296 aa 23.6 %
Trypanosoma cruzi cysteine proteinase, putative Cathepsin B   335 aa 278 aa 26.3 %
Entamoeba histolytica cysteine protease, putative Cathepsin B   335 aa 276 aa 23.2 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 270 aa 26.7 %
Plasmodium falciparum dipeptidyl aminopeptidase 1 Cathepsin B   335 aa 371 aa 25.3 %
Theileria parva cathepsin C, putative Cathepsin B   335 aa 282 aa 29.4 %
Trypanosoma cruzi cysteine proteinase, putative Cathepsin B   335 aa 275 aa 25.8 %
Toxoplasma gondii cathepsin CPC1 Cathepsin B   335 aa 304 aa 28.6 %
Giardia lamblia Cathepsin L precursor Cathepsin B   335 aa 280 aa 25.4 %
Toxoplasma gondii preprocathepsin c precursor, putative Cathepsin B   335 aa 274 aa 24.5 %
Plasmodium knowlesi dipeptidyl aminopeptidase 1, putative Cathepsin B   335 aa 314 aa 24.5 %
Entamoeba histolytica cysteine protease, putative Cathepsin B   335 aa 274 aa 21.5 %
Schistosoma japonicum Cathepsin C precursor, putative Cathepsin B   335 aa 333 aa 26.7 %
Dictyostelium discoideum hypothetical protein Cathepsin B   335 aa 290 aa 25.9 %
Plasmodium vivax unspecified product Cathepsin B   335 aa 288 aa 21.9 %
Theileria parva cysteine proteinase, putative Cathepsin B   335 aa 322 aa 23.3 %
Brugia malayi Cathepsin L-like precursor Cathepsin B   335 aa 307 aa 26.1 %
Plasmodium berghei berghepain-1 Cathepsin B   335 aa 286 aa 22.4 %
Toxoplasma gondii cathepsin CPC2 Cathepsin B   335 aa 269 aa 25.3 %
Plasmodium berghei dipeptidyl aminopeptidase 2 Cathepsin B   335 aa 315 aa 25.1 %
Plasmodium yoelii cathepsin c precursor Cathepsin B   335 aa 319 aa 25.7 %
Neospora caninum hypothetical protein Cathepsin B   335 aa 306 aa 28.1 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 308 aa 25.3 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 270 aa 27.4 %
Dictyostelium discoideum cysteine protease Cathepsin B   335 aa 285 aa 24.2 %
Plasmodium knowlesi knowpain-2 Cathepsin B   335 aa 304 aa 26.0 %
Giardia lamblia Dipeptidyl-peptidase I precursor Cathepsin B   335 aa 281 aa 25.6 %
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) Cathepsin B   335 aa 301 aa 27.6 %
Dictyostelium discoideum cysteine proteinase 3 Cathepsin B   335 aa 275 aa 27.6 %
Plasmodium vivax dipeptidyl aminopeptidase 1, putative Cathepsin B   335 aa 319 aa 25.1 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 297 aa 23.9 %
Giardia lamblia Cathepsin L precursor Cathepsin B   335 aa 279 aa 25.4 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 271 aa 26.6 %
Dictyostelium discoideum cysteine proteinase 5 precursor Cathepsin B   335 aa 369 aa 21.4 %
Plasmodium vivax dipeptidyl aminopeptidase 2, putative Cathepsin B   335 aa 286 aa 27.6 %
Brugia malayi Cathepsin L-like precursor Cathepsin B   335 aa 307 aa 25.7 %
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Cathepsin B   335 aa 286 aa 26.9 %
Plasmodium knowlesi dipeptidyl aminopeptidase 2, putative Cathepsin B   335 aa 286 aa 28.3 %
Plasmodium knowlesi knowpain-1 Cathepsin B   335 aa 289 aa 21.8 %
Plasmodium knowlesi knowpain-4 Cathepsin B   335 aa 300 aa 26.0 %
Plasmodium vivax vivapain-1 Cathepsin B   335 aa 288 aa 21.9 %
Plasmodium falciparum dipeptidyl aminopeptidase 2 Cathepsin B   335 aa 302 aa 26.5 %
Dictyostelium discoideum cysteine proteinase 1 Cathepsin B   335 aa 270 aa 25.2 %
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) Cathepsin B   335 aa 275 aa 33.5 %
Dictyostelium discoideum cysteine protease Cathepsin B   335 aa 283 aa 25.8 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 270 aa 27.0 %
Plasmodium berghei dipeptidyl aminopeptidase 1, putative Cathepsin B   335 aa 319 aa 25.7 %
Giardia lamblia Cathepsin L-like protease Cathepsin B   335 aa 284 aa 23.6 %
Brugia malayi Carbonic anhydrase like protein 2 precursor carbonic anhydrase II 260 aa 259 aa 32.0 %
Plasmodium vivax vivapain-3 Cathepsin B   335 aa 301 aa 23.6 %
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase I 261 aa 281 aa 25.3 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 270 aa 27.4 %
Giardia lamblia Hypothetical protein Cathepsin B   335 aa 273 aa 32.6 %
Onchocerca volvulus Cathepsin B-like cysteine proteinase 6 homolog Cathepsin B   335 aa 315 aa 50.2 %
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor Cathepsin B   335 aa 273 aa 31.9 %
Onchocerca volvulus Cathepsin B   335 aa 327 aa 35.2 %
Schistosoma japonicum ko:K01275 cathepsin C [EC3.4.14.1], putative Cathepsin B   335 aa 327 aa 30.9 %
Babesia bovis cathepsin C precursor, putative Cathepsin B   335 aa 307 aa 24.8 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 273 aa 26.4 %
Theileria parva cathepsin C, putative Cathepsin B   335 aa 291 aa 26.8 %
Plasmodium vivax vivapain-2 Cathepsin B   335 aa 309 aa 25.9 %
Onchocerca volvulus Cathepsin B   335 aa 313 aa 23.0 %
Cryptosporidium parvum preprocathepsin c precursor, putative Cathepsin B   335 aa 281 aa 28.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0181 1 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0181 1 1
Leishmania major carbonic anhydrase-like protein 0.0181 1 1
Echinococcus granulosus carbonic anhydrase II 0.0181 1 1
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.3258 0.3258
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0067 0.3258 0.3258
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.3258 0.3258
Loa Loa (eye worm) cathepsin B 0.0055 0.2523 0.2523
Toxoplasma gondii hypothetical protein 0.0067 0.3258 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0 0.5
Schistosoma mansoni hypothetical protein 0.0067 0.3258 0.3258
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0166 0.9115 0.9115
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0166 0.9115 0.8817
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0181 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0055 0.2523 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.3258 0.3258
Loa Loa (eye worm) hypothetical protein 0.0166 0.9115 0.9115
Brugia malayi cathepsin B-like cysteine proteinase 0.0166 0.9115 0.9115
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.3258 0.3258
Loa Loa (eye worm) hypothetical protein 0.0067 0.3258 0.3258
Echinococcus granulosus carbonic anhydrase 0.0067 0.3258 0.3258
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.9115 0.9115
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0181 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.3258 0.3258
Echinococcus multilocularis carbonic anhydrase II 0.0181 1 1
Echinococcus multilocularis cathepsin b 0.0166 0.9115 0.9115
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0181 1 1
Echinococcus multilocularis carbonic anhydrase 0.0067 0.3258 0.3258
Onchocerca volvulus Bile acid receptor homolog 0.0012 0 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.3258 0.3258
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.3258 0.3258
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0067 0.3258 0.3258
Echinococcus granulosus cathepsin b 0.0166 0.9115 0.9115
Echinococcus granulosus carbonic anhydrase 0.0067 0.3258 0.3258
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0181 1 1
Echinococcus multilocularis carbonic anhydrase 0.0067 0.3258 0.3258
Giardia lamblia Cathepsin B precursor 0.0055 0.2523 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.3258 0.3258
Plasmodium falciparum carbonic anhydrase 0.0067 0.3258 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0181 1 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0181 1 1
Giardia lamblia Cathepsin B precursor 0.0055 0.2523 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0067 0.3258 0.3258
Echinococcus granulosus cathepsin b 0.0166 0.9115 0.9115
Schistosoma mansoni carbonic anhydrase 0.0067 0.3258 0.3258
Echinococcus granulosus carbonic anhydrase 0.0067 0.3258 0.3258
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0 0.5
Echinococcus multilocularis cathepsin b 0.0166 0.9115 0.9115
Onchocerca volvulus 0.0012 0 0.5
Echinococcus multilocularis carbonic anhydrase 0.0067 0.3258 0.3258
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.9115 0.9115
Giardia lamblia Cathepsin B precursor 0.0055 0.2523 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.9115 0.9115
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0055 0.2523 0.2523

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 15.48 % Inhibition of cathepsin B in goat liver assessed as residual enzyme activity using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate at 0.1 x 10'-4 M pretreated with enzyme for 30 mins prior to substrate challenge by colorimetric analysis relative to control ChEMBL. 24642566
Activity (binding) = 45 % Inhibition of cathepsin H in goat liver assessed as residual enzyme activity using Leu-betaNA as substrate at 0.1 x 10'-4 M after 30 mins by colorimetric analysis relative to control ChEMBL. 24642566
Ki (binding) = 0.0064 10'-4M Competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis ChEMBL. 24642566
Ki (binding) = 5.88 10'-4M Non-competitive inhibition of cathepsin H in goat liver using Leu-betaNA as substrate by colorimetric analysis ChEMBL. 24642566
Ki (binding) = 5.75 uM Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay ChEMBL. 21402476
Ki (binding) = 7.84 uM Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay ChEMBL. 21402476
MIC (functional) = 8 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis BCG ChEMBL. 24246731
Potency (functional) = 2.8184 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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] 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) 23.0999 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
Potency (functional) 35.4813 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.