Detailed information for compound 418286

Basic information

Technical information
  • TDR Targets ID: 418286
  • Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]- 2-phenyl-2-propan-2-ylpentanenitrile
  • MW: 394.55 | Formula: C25H34N2O2
  • H donors: 0 H acceptors: 1 LogP: 5.42 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC)CCN(CCCC(c1ccccc1)(C(C)C)C#N)C
  • InChi: 1S/C25H34N2O2/c1-20(2)25(19-26,22-10-7-6-8-11-22)15-9-16-27(3)17-14-21-12-13-23(28-4)24(18-21)29-5/h6-8,10-13,18,20H,9,14-17H2,1-5H3
  • InChiKey: ZXJSBBDHVRBFSG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-2-phenyl-pentanenitrile
  • 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-isopropyl-2-phenylpentanenitrile
  • 5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-phenyl-2-propan-2-yl-pentanenitrile
  • 5-[homoveratryl(methyl)amino]-2-isopropyl-2-phenyl-valeronitrile
  • Verapamil
  • 5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-2-phenyl-valeronitrile

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi nuclear receptor NHR-88 0.005 0.0086 0.0412
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0036 0.0174
Brugia malayi hypothetical protein 0.0159 0.0488 0.2332
Schistosoma mansoni hypothetical protein 0.0034 0.0029 0.0136
Echinococcus multilocularis dna polymerase kappa 0.0041 0.0055 0.0264
Trypanosoma cruzi squalene synthase, putative 0.0252 0.083 0.3801
Schistosoma mansoni hypothetical protein 0.0069 0.0156 0.0744
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0055 0.0178
Schistosoma mansoni retinoid-x-receptor (RXR) 0.005 0.0086 0.0412
Loa Loa (eye worm) hypothetical protein 0.0311 0.1046 0.4993
Brugia malayi polk-prov protein 0.0031 0.0018 0.0088
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0311 0.1046 0.4993
Echinococcus granulosus carbonic anhydrase 0.0311 0.1046 0.4993
Schistosoma mansoni hypothetical protein 0.0146 0.0441 0.2103
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0091 0.0239 0.1811
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0055 0.0178
Brugia malayi Steroid receptor seven-up type 2 0.005 0.0086 0.0412
Echinococcus multilocularis fructose bisphosphate aldolase class I 0.0091 0.0239 0.1143
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0596 0.2095 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0311 0.1046 0.4993
Loa Loa (eye worm) hypothetical protein 0.005 0.0086 0.0412
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0091 0.0239 0.0903
Trypanosoma cruzi phytoene synthase, putative 0.0079 0.0192 0.0672
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0061 0.0067
Loa Loa (eye worm) carbonic anhydrase 3 0.0596 0.2095 1
Brugia malayi Nuclear hormone receptor-like 1 0.005 0.0086 0.0412
Brugia malayi photoreceptor-specific nuclear receptor 0.005 0.0086 0.0412
Brugia malayi hypoxia-induced factor 1 0.0147 0.0443 0.2115
Mycobacterium ulcerans 3-dehydroquinate dehydratase 0.2747 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0036 0.0174
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0055 0.0178
Echinococcus granulosus fructose bisphosphate aldolase class I 0.0091 0.0239 0.1143
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0055 0.0178
Echinococcus multilocularis thyroid hormone receptor alpha 0.0196 0.0624 0.2977
Onchocerca volvulus 0.005 0.0086 0.3367
Onchocerca volvulus Bile acid receptor homolog 0.005 0.0086 0.3367
Brugia malayi ATP-citrate synthase 0.0155 0.0473 0.2256
Echinococcus multilocularis carbonic anhydrase 0.0311 0.1046 0.4993
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0596 0.2095 1
Echinococcus granulosus dna polymerase kappa 0.0041 0.0055 0.0264
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.005 0.0086 0.0412
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0311 0.1046 0.4993
Brugia malayi fructose-bisphosphate aldolase 2 0.0091 0.0239 0.1143
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0091 0.0239 0.1143
Leishmania major squalene synthase, putative 0.0252 0.083 0.3457
Echinococcus granulosus histone acetyltransferase KAT2B 0.0142 0.0424 0.2026
Echinococcus multilocularis FTZ F1 alpha 0.005 0.0086 0.0412
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0086 0.0413
Brugia malayi ecdysteroid receptor 0.005 0.0086 0.0412
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0055 0.0178
Mycobacterium ulcerans phytoene synthase, CrtB 0.0079 0.0192 0.016
Schistosoma mansoni steroid hormone receptor ad4bp 0.005 0.0086 0.0412
Brugia malayi follicle stimulating hormone receptor 0.0457 0.1584 0.7564
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.005 0.0086 0.0412
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0071 0.0162 0.0776
Schistosoma mansoni coup transcription factor 0.005 0.0086 0.0412
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0146 0.0441 0.2103
Brugia malayi fructose-bisphosphate aldolase 1 0.0091 0.0239 0.1143
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.005 0.0086 0.0412
Echinococcus granulosus FTZ F1 alpha 0.005 0.0086 0.0412
Loa Loa (eye worm) hypothetical protein 0.005 0.0086 0.0412
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0055 0.0023
Schistosoma mansoni hypothetical protein 0.0079 0.0192 0.0918
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0086 0.0413
Loa Loa (eye worm) hypothetical protein 0.005 0.0086 0.0412
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0091 0.0239 0.1143
Schistosoma mansoni hypothetical protein 0.0036 0.0036 0.0174
Echinococcus multilocularis Squalene phytoene synthase 0.0079 0.0192 0.0918
Brugia malayi Nuclear hormone receptor family member nhr-41 0.005 0.0086 0.0412
Echinococcus granulosus Squalene phytoene synthase 0.0079 0.0192 0.0918
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0091 0.0239 0.1811
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0061 0.0291
Loa Loa (eye worm) hypothetical protein 0.0159 0.0488 0.2332
Loa Loa (eye worm) hypoxia-induced factor 1 0.0147 0.0443 0.2115
Schistosoma mansoni retinoic acid receptor RXR 0.005 0.0086 0.0412
Loa Loa (eye worm) hypothetical protein 0.005 0.0086 0.0412
Loa Loa (eye worm) hypothetical protein 0.005 0.0086 0.0412
Loa Loa (eye worm) glutaminase 0.0275 0.0914 0.4365
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0091 0.0239 0.1143
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0085 0.0214 0.1021
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0311 0.1046 0.4993
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0036 0.0174
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0596 0.2095 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0055 0.0178
Trypanosoma brucei squalene synthase, putative 0.0252 0.083 0.3911
Echinococcus granulosus carbonic anhydrase II 0.0596 0.2095 1
Plasmodium vivax fructose 1,6-bisphosphate aldolase, putative 0.0091 0.0239 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0205 0.0981
Loa Loa (eye worm) fructose-bisphosphate aldolase 1 0.0091 0.0239 0.1143
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0091 0.0239 0.1143
Schistosoma mansoni ATP-citrate synthase 0.0136 0.0403 0.1923
Trichomonas vaginalis glutaminase, putative 0.0275 0.0914 1
Echinococcus granulosus single minded 2 0.0035 0.0032 0.0155
Brugia malayi bZIP transcription factor family protein 0.0085 0.0214 0.1021
Loa Loa (eye worm) hypothetical protein 0.0034 0.0029 0.0136
Mycobacterium ulcerans glutaminase 0.0275 0.0914 0.0885
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0146 0.0439 0.2098
Schistosoma mansoni nuclear hormone receptor 0.005 0.0086 0.0412
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.005 0.0086 0.0412
Loa Loa (eye worm) hypothetical protein 0.005 0.0086 0.0412
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0085 0.0214 0.1021
Echinococcus multilocularis carbonic anhydrase II 0.0596 0.2095 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.005 0.0086 0.0412
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.005 0.0086 0.0412
Brugia malayi nuclear hormone receptor 0.005 0.0086 0.0412
Echinococcus granulosus carbonic anhydrase 0.0311 0.1046 0.4993
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0055 0.0178
Schistosoma mansoni thyroid hormone receptor 0.0196 0.0624 0.2977
Loa Loa (eye worm) acetyltransferase 0.0146 0.0439 0.2098
Brugia malayi Nuclear hormone receptor family member nhr-19 0.005 0.0086 0.0412
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0146 0.0441 0.2103
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0091 0.0239 0.1143
Plasmodium falciparum fructose-bisphosphate aldolase 0.0091 0.0239 0.1919
Plasmodium falciparum carbonic anhydrase 0.0311 0.1046 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.005 0.0086 0.0412
Brugia malayi Nuclear hormone receptor family member nhr-1 0.005 0.0086 0.0412
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.005 0.0086 0.0412
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.005 0.0086 0.0412
Echinococcus multilocularis carbonic anhydrase 0.0311 0.1046 0.4993
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0596 0.2095 1
Schistosoma mansoni carbonic anhydrase-related 0.0311 0.1046 0.4993
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0061 0.0067
Brugia malayi Nuclear hormone receptor family member nhr-25 0.005 0.0086 0.0412
Echinococcus multilocularis carbonic anhydrase 0.0311 0.1046 0.4993
Brugia malayi Nuclear hormone receptor family member nhr-25 0.005 0.0086 0.0412
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0596 0.2095 1
Loa Loa (eye worm) glutaminase 2 0.0275 0.0914 0.4365
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0162 0.013
Brugia malayi hypothetical protein 0.0036 0.0036 0.0174
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0055 0.0178
Trypanosoma brucei fructose-bisphosphate aldolase, glycosomal, putative 0.0091 0.0239 0.1064
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0048 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0192 0.0918
Echinococcus multilocularis jun protein 0.0085 0.0214 0.1021
Loa Loa (eye worm) ATP-citrate synthase 0.0155 0.0473 0.2256
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0091 0.0239 0.0903
Echinococcus granulosus nuclear receptor 2DBD gamma 0.005 0.0086 0.0412
Brugia malayi Nuclear hormone receptor family member nhr-3 0.005 0.0086 0.0412
Echinococcus granulosus retinoic acid receptor rxr beta a 0.005 0.0086 0.0412
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0091 0.0239 0.0903
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0086 0.0413
Leishmania major carbonic anhydrase-like protein 0.0596 0.2095 1
Echinococcus granulosus ecdysone induced protein 78C 0.005 0.0086 0.0412
Loa Loa (eye worm) hypothetical protein 0.005 0.0086 0.0413
Brugia malayi glutaminase DH11.1 0.0275 0.0914 0.4365
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.005 0.0086 0.0412
Echinococcus granulosus nuclear receptor 2DBD gamma 0.005 0.0086 0.0412
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0457 0.1584 0.7564
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.005 0.0086 0.0412
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.005 0.0086 0.0412
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0596 0.2095 1
Onchocerca volvulus Protein ultraspiracle homolog 0.005 0.0086 0.3367
Loa Loa (eye worm) hypothetical protein 0.005 0.0086 0.0412
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.0032 0.0155
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0091 0.0239 0.1143
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0091 0.0239 0.1143
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0596 0.2095 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.005 0.0086 0.0412
Brugia malayi Cytochrome P450 family protein 0.0048 0.008 0.0383
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0048 0.5
Schistosoma mansoni thyroid hormone receptor 0.0196 0.0624 0.2977
Toxoplasma gondii ATP-citrate lyase, putative 0.0155 0.0473 0.4179
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0055 0.0178
Loa Loa (eye worm) hypothetical protein 0.0311 0.1046 0.4993
Trypanosoma brucei DNA polymerase IV, putative 0.0035 0.0031 0.006
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.005 0.0086 0.0412
Schistosoma mansoni single-minded 0.0047 0.0078 0.0371
Loa Loa (eye worm) hypothetical protein 0.0311 0.1046 0.4993
Echinococcus multilocularis ecdysone induced protein 78C 0.005 0.0086 0.0412
Leishmania major hypothetical protein, conserved 0.0079 0.0192 0.0154
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0091 0.0239 0.1143
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.0078 0.0371
Schistosoma mansoni hypothetical protein 0.0311 0.1046 0.4993
Trypanosoma brucei carbonic anhydrase-like protein 0.0596 0.2095 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.005 0.0086 0.0412
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.005 0.0086 0.3367
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.005 0.0086 0.0412
Brugia malayi Nuclear hormone receptor family member nhr-49 0.005 0.0086 0.0412
Schistosoma mansoni carbonic anhydrase-related 0.0311 0.1046 0.4993
Echinococcus granulosus jun protein 0.0085 0.0214 0.1021
Loa Loa (eye worm) fructose-bisphosphate aldolase 2 0.0091 0.0239 0.1143
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0162 0.013
Schistosoma mansoni RAR-like nuclear receptor 0.005 0.0086 0.0412
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0055 0.0023
Trypanosoma brucei unspecified product 0.0035 0.0031 0.006
Brugia malayi hypothetical protein 0.0066 0.0147 0.0703
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0162 0.013
Loa Loa (eye worm) steroid hormone receptor 0.005 0.0086 0.0412
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.005 0.0086 0.0412
Schistosoma mansoni carbonic anhydrase-related 0.0311 0.1046 0.4993
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.005 0.0086 0.0412
Schistosoma mansoni glutaminase 0.0275 0.0914 0.4365
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0311 0.1046 0.4993
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.008 0.0383
Mycobacterium tuberculosis 3-dehydroquinate dehydratase AroD (AROQ) (3-dehydroquinase) (type II dhqase) 0.2747 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.005 0.0086 0.0412
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0055 0.0178
Schistosoma mansoni jun-related protein 0.0069 0.0156 0.0744
Loa Loa (eye worm) hypothetical protein 0.0031 0.0018 0.0088
Toxoplasma gondii hypothetical protein 0.0311 0.1046 1
Echinococcus granulosus carbonic anhydrase 0.0311 0.1046 0.4993
Trypanosoma cruzi squalene synthase, putative 0.0252 0.083 0.3801
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.0079 0.0192 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0029 0.0136
Loa Loa (eye worm) hypothetical protein 0.005 0.0086 0.0412
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.005 0.0086 0.0412
Onchocerca volvulus 0.0066 0.0147 0.7182
Brugia malayi steroid hormone receptor 0.005 0.0086 0.0412
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0071 0.0162 0.0776
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.0162 0.0776
Schistosoma mansoni carbonic anhydrase 0.0311 0.1046 0.4993
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.005 0.0086 0.0412
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0091 0.0239 0.0903
Brugia malayi bHLH-PAS transcription factor 0.0035 0.0032 0.0155
Toxoplasma gondii fructose-bisphosphate aldolase, putative 0.0091 0.0239 0.1811
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.0079 0.0192 0.003
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.005 0.0086 0.0412
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0311 0.1046 0.4993
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.005 0.0086 0.0412
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.005 0.0086 0.0412
Brugia malayi Nuclear hormone receptor family member nhr-40 0.005 0.0086 0.0412
Brugia malayi Nuclear hormone receptor family member nhr-19 0.005 0.0086 0.0412
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0055 0.0178
Brugia malayi acetyltransferase, GNAT family protein 0.0146 0.0439 0.2098
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0146 0.0439 0.2098
Leishmania major fructose-1,6-bisphosphate aldolase 0.0091 0.0239 0.0398
Toxoplasma gondii aldehyde dehydrogenase 0.0071 0.0162 0.103
Brugia malayi PAS domain containing protein 0.0047 0.0078 0.0371
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.0162 0.0776
Schistosoma mansoni Tr4/Tr2 (homologue) 0.005 0.0086 0.0412
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.005 0.0086 0.0412

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 99 % Effect on calcein accumulation in human multidrug-resistant 2780AD cells at 0.25 ug/mL relative to control ChEMBL. 17358082
Activity (functional) = 100 % Effect on calcein accumulation in human multidrug-resistant 2780AD cells at 0.25 ug/mL relative to verapamil ChEMBL. 17358082
Activity (functional) = 100 % Effect on calcein accumulation in human multidrug-resistant 2780AD cells at 2.5 ug/mL relative to verapamil ChEMBL. 17358082
Activity (functional) = 100 % Effect on calcein accumulation in human multidrug-resistant 2780AD cells at 25 ug/mL relative to verapamil ChEMBL. 17358082
Activity (functional) = 114 % Effect on calcein accumulation in human multidrug-resistant 2780AD cells at 2.5 ug/mL relative to control ChEMBL. 17358082
Activity (functional) = 145 % Effect on calcein accumulation in human multidrug-resistant 2780AD cells at 25 ug/mL relative to control ChEMBL. 17358082

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

1 literature reference was collected for this gene.

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