Detailed information for compound 1419100

Basic information

Technical information
  • TDR Targets ID: 1419100
  • Name: 1,3-dimethyl-5-(2-methylbenzoyl)benzimidazol- 2-one
  • MW: 280.321 | Formula: C17H16N2O2
  • H donors: 0 H acceptors: 2 LogP: 2.64 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccccc1C(=O)c1ccc2c(c1)n(C)c(=O)n2C
  • InChi: 1S/C17H16N2O2/c1-11-6-4-5-7-13(11)16(20)12-8-9-14-15(10-12)19(3)17(21)18(14)2/h4-10H,1-3H3
  • InChiKey: JWRUBGJGSDBCBV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1,3-dimethyl-5-[(2-methylphenyl)-oxomethyl]-2-benzimidazolone
  • 1,3-dimethyl-5-(2-methylphenyl)carbonyl-benzimidazol-2-one
  • A0725/0033802
  • TimTec1_003467
  • MLS000028274
  • SMR000036811
  • ZINC00033103
  • Oprea1_219098

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii 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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein 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
Schistosoma japonicum Retinal dehydrogenase 1, putative 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 granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
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 multilocularis guanine nucleotide binding protein G(s) subunit 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0275 0.0669 0.0669
Echinococcus multilocularis ecdysone induced protein 78C 0.0275 0.0669 0.0669
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0164 0.0313 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0275 0.0669 0.0669
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0275 0.0669 0.0669
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0164 0.0313 1
Loa Loa (eye worm) hypothetical protein 0.0208 0.0454 0.0454
Trichomonas vaginalis CAMK family protein kinase 0.0199 0.0424 1
Trichomonas vaginalis CAMK family protein kinase 0.0199 0.0424 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0275 0.0669 0.0669
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.3052 0.9536 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0275 0.0669 0.0669
Echinococcus multilocularis FTZ F1 alpha 0.0275 0.0669 0.0669
Brugia malayi Nuclear hormone receptor-like 1 0.0145 0.0254 0.0254
Brugia malayi nuclear receptor NHR-67 0.013 0.0204 0.0204
Brugia malayi Nuclear hormone receptor E75 0.013 0.0204 0.0204
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0275 0.0669 0.0669
Trichomonas vaginalis CAMK family protein kinase 0.0199 0.0424 1
Loa Loa (eye worm) steroid hormone receptor 0.0275 0.0669 0.0669
Echinococcus multilocularis Nuclear hormone receptor HR96 0.013 0.0204 0.0204
Echinococcus multilocularis peptidase Clp (S14 family) 0.0107 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.013 0.0204 0.0204
Trichomonas vaginalis CAMK family protein kinase 0.0199 0.0424 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0164 0.0313 0.5
Brugia malayi nuclear hormone receptor family member nhr-6 0.013 0.0204 0.0204
Brugia malayi orphan nuclear receptor NR2E1 0.013 0.0204 0.0204
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0164 0.0313 0.5
Loa Loa (eye worm) hypothetical protein 0.013 0.0204 0.0204
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0145 0.0254 0.0254
Trichomonas vaginalis CAMK family protein kinase 0.0199 0.0424 1
Schistosoma mansoni nuclear receptor nhr-48 0.013 0.0204 0.0214
Loa Loa (eye worm) hypothetical protein 0.0275 0.0669 0.0669
Onchocerca volvulus Huntingtin homolog 0.0148 0.0262 0.1242
Schistosoma mansoni nuclear hormone receptor 0.013 0.0204 0.0214
Loa Loa (eye worm) hypothetical protein 0.0275 0.0669 0.0669
Schistosoma mansoni serine/threonine protein kinase 0.0199 0.0424 0.0445
Trypanosoma cruzi polo-like protein kinase, putative 0.0199 0.0424 0.5
Brugia malayi Nuclear hormone receptor E75 0.013 0.0204 0.0204
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0275 0.0669 0.0669
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0145 0.0254 0.0254
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0275 0.0669 1
Loa Loa (eye worm) hypothetical protein 0.013 0.0204 0.0204
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0275 0.0669 0.0669
Trichomonas vaginalis CAMK family protein kinase 0.0199 0.0424 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0164 0.0313 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.013 0.0204 0.0204
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0275 0.0669 0.0669
Schistosoma mansoni nuclear hormone receptor 0.0275 0.0669 0.0701
Onchocerca volvulus 0.0275 0.0669 1
Schistosoma mansoni nuclear receptor 0.013 0.0204 0.0214
Brugia malayi photoreceptor-specific nuclear receptor 0.0275 0.0669 0.0669
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0199 0.0424 0.0424
Brugia malayi nuclear hormone receptor 0.013 0.0204 0.0204
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0275 0.0669 0.0669
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.3198 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.013 0.0204 0.0204
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0275 0.0669 0.0669
Loa Loa (eye worm) hypothetical protein 0.013 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.0164 0.0313 0.0313
Echinococcus granulosus peptidase Clp S14 family 0.0107 0.0133 0.0133
Brugia malayi hypothetical protein 0.013 0.0204 0.0204
Brugia malayi nuclear receptor NHR-88 0.0275 0.0669 0.0669
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0275 0.0669 0.0669
Brugia malayi nuclear receptor RXR 0.013 0.0204 0.0204
Entamoeba histolytica serine/threonine protein kinase, putative 0.0199 0.0424 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.0199 0.0424 0.4739
Echinococcus granulosus nuclear receptor nhr 48 0.013 0.0204 0.0204
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0275 0.0669 0.0669
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0275 0.0669 0.0701
Schistosoma mansoni coup transcription factor 0.0275 0.0669 0.0701
Echinococcus granulosus Nuclear hormone receptor HR96 0.013 0.0204 0.0204
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0275 0.0669 0.0669
Loa Loa (eye worm) hypothetical protein 0.0145 0.0254 0.0254
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.013 0.0204 0.0204
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0275 0.0669 0.0669
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.013 0.0204 0.0204
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0275 0.0669 0.0669
Brugia malayi nuclear receptor NHR-88 0.013 0.0204 0.0204
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0164 0.0313 1
Loa Loa (eye worm) hypothetical protein 0.0275 0.0669 0.0669
Trypanosoma brucei polo-like protein kinase 0.0199 0.0424 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0145 0.0254 0.0266
Brugia malayi Calcitonin receptor-like protein seb-1 0.0208 0.0454 0.0454
Loa Loa (eye worm) hypothetical protein 0.0275 0.0669 0.0669
Schistosoma mansoni nuclear hormone receptor 0.013 0.0204 0.0214
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0275 0.0669 0.0669
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0275 0.0669 0.0701
Brugia malayi ecdysteroid receptor 0.0275 0.0669 0.0669
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0275 0.0669 0.0669
Brugia malayi tailless protein 0.013 0.0204 0.0204
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0164 0.0313 0.5
Loa Loa (eye worm) hypothetical protein 0.013 0.0204 0.0204
Echinococcus multilocularis thyroid hormone receptor alpha 0.0275 0.0669 0.0669
Trypanosoma cruzi polo-like protein kinase, putative 0.0199 0.0424 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0275 0.0669 0.0701
Loa Loa (eye worm) hypothetical protein 0.013 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.0148 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0148 0.0262 0.0262
Echinococcus granulosus Nuclear hormone receptor HR96 0.013 0.0204 0.0204
Brugia malayi conserved hypotetical protein 0.013 0.0204 0.0204
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0164 0.0313 0.0313
Onchocerca volvulus Bile acid receptor homolog 0.0275 0.0669 1
Brugia malayi steroid hormone receptor 0.0275 0.0669 0.0669
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0275 0.0669 0.0669
Brugia malayi latrophilin 2 splice variant baaae 0.0142 0.0244 0.0244
Loa Loa (eye worm) DR-78 0.013 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.0142 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.0275 0.0669 0.0669
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0024 0.0024
Brugia malayi hypothetical protein 0.0145 0.0254 0.0254
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0275 0.0669 0.0669
Loa Loa (eye worm) hypothetical protein 0.013 0.0204 0.0204
Schistosoma mansoni thyroid hormone receptor 0.0275 0.0669 0.0701
Loa Loa (eye worm) hypothetical protein 0.013 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.0145 0.0254 0.0254
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0164 0.0313 1
Brugia malayi hypothetical protein 0.0148 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.013 0.0204 0.0204
Brugia malayi hypothetical protein 0.0145 0.0254 0.0254
Schistosoma mansoni hypothetical protein 0.0142 0.0244 0.0256
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0164 0.0313 1
Brugia malayi nuclear hormone receptor 0.0275 0.0669 0.0669
Brugia malayi hypothetical protein 0.013 0.0204 0.0204
Schistosoma mansoni RAR-like nuclear receptor 0.0275 0.0669 0.0701
Brugia malayi Steroid receptor seven-up type 2 0.0275 0.0669 0.0669
Loa Loa (eye worm) hypothetical protein 0.0145 0.0254 0.0254
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.3198 1 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.0262 0.1242
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0275 0.0669 0.0669
Schistosoma mansoni steroid hormone receptor ad4bp 0.0275 0.0669 0.0701
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0164 0.0313 0.5
Loa Loa (eye worm) hypothetical protein 0.013 0.0204 0.0204
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0208 0.0454 0.0454
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0024 0.0025
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0275 0.0669 0.0701
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0275 0.0669 0.0701
Loa Loa (eye worm) hypothetical protein 0.013 0.0204 0.0204
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0275 0.0669 0.0669
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0275 0.0669 0.0669
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0208 0.0454 0.0454
Loa Loa (eye worm) hypothetical protein 0.0275 0.0669 0.0669
Trichomonas vaginalis CAMK family protein kinase 0.0199 0.0424 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0024 0.0024
Brugia malayi nuclear hormone receptor family member odr-7 0.013 0.0204 0.0204
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0107 0.0133 1
Brugia malayi Nuclear hormone receptor-like 1 0.0275 0.0669 0.0669
Echinococcus multilocularis nuclear receptor nhr 48 0.013 0.0204 0.0204
Echinococcus granulosus nuclear receptor 2DBD gamma 0.013 0.0204 0.0204
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0164 0.0313 0.0313
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0164 0.0313 0.5
Brugia malayi serine/threonine-protein kinase plk-2 0.0199 0.0424 0.0424
Echinococcus granulosus ecdysone induced protein 78C 0.0275 0.0669 0.0669
Schistosoma mansoni kinase 0.0101 0.0112 0.0118
Brugia malayi ecdysone receptor 0.013 0.0204 0.0204
Schistosoma mansoni nuclear receptor 0.013 0.0204 0.0214
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0024 0.0025
Giardia lamblia Kinase, PLK 0.0199 0.0424 0.5
Brugia malayi Probable ClpP-like protease 0.0164 0.0313 0.0313
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.2916 0.2916
Loa Loa (eye worm) hypothetical protein 0.0275 0.0669 0.0669
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0275 0.0669 0.0669
Schistosoma mansoni thyroid hormone receptor 0.0275 0.0669 0.0701
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.013 0.0204 0.0214
Loa Loa (eye worm) hypothetical protein 0.0145 0.0254 0.0254
Loa Loa (eye worm) hypothetical protein 0.0275 0.0669 0.0669
Schistosoma mansoni retinoic acid receptor RXR 0.0275 0.0669 0.0701
Brugia malayi nuclear receptor RXR 0.0145 0.0254 0.0254
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0145 0.0254 0.0254
Loa Loa (eye worm) hypothetical protein 0.0145 0.0254 0.0254
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.013 0.0204 0.0204
Echinococcus granulosus FTZ F1 alpha 0.0275 0.0669 0.0669
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0199 0.0424 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0275 0.0669 0.0669
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0199 0.0424 0.0424
Onchocerca volvulus Protein ultraspiracle homolog 0.0275 0.0669 1
Brugia malayi Nuclear hormone receptor-like 1 0.0145 0.0254 0.0254
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0275 0.0669 0.0669
Loa Loa (eye worm) hypothetical protein 0.013 0.0204 0.0204
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.013 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.013 0.0204 0.0204
Schistosoma mansoni zinc finger protein 0.013 0.0204 0.0214
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0275 0.0669 0.0701
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0107 0.0133 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0275 0.0669 0.0669
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0145 0.0254 0.0266
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.3198 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.013 0.0204 0.0204
Loa Loa (eye worm) nuclear hormone receptor 0.013 0.0204 0.0204
Loa Loa (eye worm) nuclear receptor nhr-7B 0.013 0.0204 0.0204
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0275 0.0669 0.0669
Echinococcus granulosus thyroid hormone receptor alpha 0.013 0.0204 0.0204
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0199 0.0424 0.0424
Schistosoma mansoni peptidase Clp (S14 family) 0.0164 0.0313 0.0328
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0275 0.0669 0.0669

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 5.6234 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) = 6.3096 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) = 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 screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 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.
 
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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