Detailed information for compound 1370851

Basic information

Technical information
  • TDR Targets ID: 1370851
  • Name: N-(1H-benzimidazol-2-yl)-4-oxo-3-propan-2-ylp hthalazine-1-carboxamide
  • MW: 347.371 | Formula: C19H17N5O2
  • H donors: 2 H acceptors: 3 LogP: 2.84 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1nn(C(C)C)c(=O)c2c1cccc2)Nc1nc2c([nH]1)cccc2
  • InChi: 1S/C19H17N5O2/c1-11(2)24-18(26)13-8-4-3-7-12(13)16(23-24)17(25)22-19-20-14-9-5-6-10-15(14)21-19/h3-11H,1-2H3,(H2,20,21,22,25)
  • InChiKey: UWLXKSJTZYFYFB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1H-benzimidazol-2-yl)-3-isopropyl-4-oxo-phthalazine-1-carboxamide
  • N-(1H-benzimidazol-2-yl)-3-isopropyl-4-oxo-1-phthalazinecarboxamide
  • N-(1H-benzimidazol-2-yl)-3-isopropyl-4-keto-phthalazine-1-carboxamide
  • N-(1H-benzimidazol-2-yl)-4-oxo-3-propan-2-yl-phthalazine-1-carboxamide
  • MLS000388834
  • ZINC03462965
  • T5448760
  • SMR000255007

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 glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi Intermediate filament tail domain containing 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
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni lamin 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus lamin dm0 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 multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni intermediate filament proteins 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
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0202 0.0195
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.1631 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0285 0.0584
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0208 0.0153
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0035 0.0202 0.0692
Trypanosoma brucei lipase domain protein, putative 0.0288 0.2828 1
Echinococcus multilocularis peregrin 0.0035 0.0208 0.0202
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0202 0.0195
Loa Loa (eye worm) hypothetical protein 0.0016 0.0006 0.0022
Loa Loa (eye worm) hypothetical protein 0.006 0.0469 0.1659
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0351 0.0345
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.3504 0.5
Echinococcus multilocularis aldehyde reductase 0.0025 0.0098 0.0092
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0035 0.0202 0.0692
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1039 0.366
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0035 0.0202 0.0633
Brugia malayi Lipase family protein 0.0288 0.2828 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0202 0.0195
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0351 0.1223
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.3504 1
Brugia malayi hypothetical protein 0.0131 0.12 0.4193
Brugia malayi jmjC domain containing protein 0.0115 0.1039 0.362
Loa Loa (eye worm) hypothetical protein 0.0033 0.0181 0.064
Brugia malayi follicle stimulating hormone receptor 0.024 0.233 0.8222
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0035 0.0202 0.0692
Giardia lamblia PHD finger protein 15 0.0035 0.0208 0.0021
Echinococcus multilocularis musashi 0.0033 0.0181 0.0175
Echinococcus granulosus aldo keto reductase 0.0035 0.0202 0.0692
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0035 0.0202 0.0692
Brugia malayi Bromodomain containing protein 0.0035 0.0208 0.0657
Onchocerca volvulus 0.0035 0.0202 0.0078
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.032 0.113
Schistosoma mansoni hypothetical protein 0.0205 0.1966 1
Loa Loa (eye worm) oxidoreductase 0.0035 0.0202 0.0713
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0202 0.0195
Echinococcus multilocularis aldo keto reductase 0.0035 0.0202 0.0195
Onchocerca volvulus 0.0035 0.0202 0.0078
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0024 0.0085
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3504 1
Echinococcus multilocularis lamin dm0 0.0033 0.0181 0.0175
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3504 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.1631 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0208 1
Brugia malayi jmjC domain containing protein 0.0043 0.0285 0.0931
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0035 0.0202 0.0677
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.032 0.0777
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.032 0.0314
Schistosoma mansoni aldo-keto reductase 0.0035 0.0202 0.0115
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0208 1
Echinococcus granulosus intermediate filament protein 0.0033 0.0181 0.0619
Loa Loa (eye worm) lipase 0.0288 0.2828 1
Echinococcus granulosus hypothetical protein 0.0035 0.0202 0.0692
Schistosoma mansoni pol-related 0.0035 0.0202 0.0115
Echinococcus granulosus aldo keto reductase 0.0035 0.0202 0.0692
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.3504 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.024 0.233 0.8237
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0202 0.0195
Plasmodium falciparum phd finger protein, putative 0.0035 0.0208 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0.12 0.4243
Echinococcus multilocularis geminin 0.0205 0.1966 0.1961
Loa Loa (eye worm) oxidoreductase 0.0035 0.0202 0.0713
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.032 0.1111
Schistosoma mansoni hypothetical protein 0.0035 0.0208 0.0153
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.032 0.1054
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0208 0.0737
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0285 0.0584
Echinococcus granulosus lamin dm0 0.0033 0.0181 0.0619
Loa Loa (eye worm) oxidoreductase 0.0035 0.0202 0.0713
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.1631 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0035 0.0202 0.0633
Loa Loa (eye worm) hypothetical protein 0.0131 0.12 0.4243
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1039 0.1034
Leishmania major hypothetical protein, conserved 0.0288 0.2828 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3504 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0035 0.0202 0.0692
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.032 0.1111
Loa Loa (eye worm) hypothetical protein 0.0032 0.0175 0.0618
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0285 0.1008
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0035 0.0202 0.0692
Echinococcus granulosus geminin 0.0205 0.1966 0.6943
Loa Loa (eye worm) hypothetical protein 0.0035 0.0208 0.0737
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0035 0.0202 0.0692
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0208 0.0202
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3504 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3504 1
Trichomonas vaginalis lipase containing protein, putative 0.0288 0.2828 0.7954
Onchocerca volvulus 0.0035 0.0202 0.0078
Trichomonas vaginalis lipase containing protein, putative 0.0288 0.2828 0.7954
Loa Loa (eye worm) oxidoreductase 0.0035 0.0202 0.0713
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0285 0.0279
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0285 0.0989
Echinococcus multilocularis aldo keto reductase 0.0035 0.0202 0.0195
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0597 0.2111
Echinococcus multilocularis aldo keto reductase 0.0035 0.0202 0.0195
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.032 0.0314
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0181 0.064
Onchocerca volvulus 0.0035 0.0202 0.0078
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0035 0.0202 0.0633
Onchocerca volvulus 0.0288 0.2828 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3504 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0035 0.0202 0.0633
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3504 1
Onchocerca volvulus Huntingtin homolog 0.0131 0.12 0.3849
Brugia malayi intermediate filament protein 0.0033 0.0181 0.0559
Echinococcus multilocularis aldo keto reductase 0.0035 0.0202 0.0195
Onchocerca volvulus 0.0035 0.0202 0.0078
Echinococcus granulosus aldo keto reductase 0.0035 0.0202 0.0692
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0202 0.0195
Echinococcus multilocularis lamin 0.0033 0.0181 0.0175
Onchocerca volvulus 0.0035 0.0202 0.0078
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0208 0.0716
Trypanosoma cruzi hypothetical protein, conserved 0.0288 0.2828 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0181 0.0559
Trypanosoma cruzi hypothetical protein, conserved 0.0288 0.2828 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.032 0.0777
Schistosoma mansoni aldo-keto reductase 0.0035 0.0202 0.0115
Schistosoma mansoni hypothetical protein 0.0205 0.1966 1
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0793 0.3431
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0202 0.0195
Onchocerca volvulus Alhambra homolog 0.0035 0.0208 0.0103
Echinococcus granulosus aldehyde reductase 0.0025 0.0098 0.0324
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0202 0.0195
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0202 0.0195
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0035 0.0202 0.0692
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0181 0.064
Onchocerca volvulus Huntingtin homolog 0.0131 0.12 0.3849
Trypanosoma brucei lipase domain protein, putative 0.0288 0.2828 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0202 0.0195
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0035 0.0202 0.0692
Loa Loa (eye worm) hypothetical protein 0.0035 0.0202 0.0713
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3504 1
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0288 0.2828 0.2824
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0202 0.0195
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.3504 1
Brugia malayi PHD-finger family protein 0.0035 0.0208 0.0657
Echinococcus granulosus lamin 0.0033 0.0181 0.0619
Loa Loa (eye worm) oxidoreductase 0.0035 0.0202 0.0713
Echinococcus granulosus peregrin 0.0035 0.0208 0.0716
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.032 0.0777
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0288 0.2828 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0208 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0047 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) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 1.7783 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3535 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) = 17.7407 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 18.3564 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 (functional) = 25.0177 um PUBCHEM_BIOASSAY: Concentration response confirmation assay for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) [Related pubchem assays: 2551 (Primary screen tested at 6 concentrations from 46 uM to 3 nM)] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.4954 um PUBCHEM_BIOASSAY: Concentration response confirmation VP16 counterscreen for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) [Related pubchem assays: 2546 (Primary counterscreen tested in the VP16 cell line at 6 concentrations from 46 uM to 3 nM)] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 39.8107 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

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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