Detailed information for compound 1408758

Basic information

Technical information
  • TDR Targets ID: 1408758
  • Name: 1-[[5-[(E)-2-dimethylaminoethenyl]-3-methyl-1 ,2-oxazol-4-yl]sulfonyl]-N-(thiophen-2-ylmeth yl)piperidine-3-carboxamide
  • MW: 438.564 | Formula: C19H26N4O4S2
  • H donors: 1 H acceptors: 4 LogP: 1.48 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(/C=C/c1onc(c1S(=O)(=O)N1CCCC(C1)C(=O)NCc1cccs1)C)C
  • InChi: 1S/C19H26N4O4S2/c1-14-18(17(27-21-14)8-10-22(2)3)29(25,26)23-9-4-6-15(13-23)19(24)20-12-16-7-5-11-28-16/h5,7-8,10-11,15H,4,6,9,12-13H2,1-3H3,(H,20,24)/b10-8+
  • InChiKey: ZNRCQRSOSDGNPK-CSKARUKUSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[5-[(E)-2-dimethylaminovinyl]-3-methyl-isoxazol-4-yl]sulfonyl-N-(2-thienylmethyl)piperidine-3-carboxamide
  • 1-[[5-[(E)-2-dimethylaminovinyl]-3-methyl-4-isoxazolyl]sulfonyl]-N-(2-thienylmethyl)-3-piperidinecarboxamide
  • 1-[5-[(E)-2-dimethylaminovinyl]-3-methyl-isoxazol-4-yl]sulfonyl-N-(2-thienylmethyl)nipecotamide
  • SMR000095759
  • MLS000118819

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans 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
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 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
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans Mitochondrial 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
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans aldehyde dehydrogenase 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0049 0.0113 0.0066
Loa Loa (eye worm) hypothetical protein 0.0479 0.8471 1
Brugia malayi nuclear receptor NHR-88 0.0226 0.355 0.4153
Mycobacterium tuberculosis Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II) 0.0359 0.6131 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0479 0.8471 0.8377
Brugia malayi nuclear hormone receptor 0.0479 0.8471 1
Brugia malayi Nuclear hormone receptor-like 1 0.0253 0.4077 0.4779
Brugia malayi nuclear receptor RXR 0.0253 0.4077 0.4779
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0253 0.4077 0.4077
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0479 0.8471 0.8377
Loa Loa (eye worm) hypothetical protein 0.0226 0.355 0.4152
Echinococcus granulosus nuclear receptor nhr 48 0.0226 0.355 0.355
Loa Loa (eye worm) hypothetical protein 0.0253 0.4077 0.4778
Schistosoma mansoni coup transcription factor 0.0479 0.8471 0.8377
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0479 0.8471 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0479 0.8471 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0226 0.355 0.3152
Echinococcus granulosus thyroid hormone receptor alpha 0.0226 0.355 0.355
Brugia malayi orphan nuclear receptor NR2E1 0.0226 0.355 0.4153
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0479 0.8471 0.8471
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0479 0.8471 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0479 0.8471 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0479 0.8471 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0479 0.8471 1
Schistosoma mansoni nuclear hormone receptor 0.0226 0.355 0.3152
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0226 0.355 0.355
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0253 0.4077 0.3712
Schistosoma mansoni zinc finger protein 0.0226 0.355 0.3152
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0479 0.8471 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0479 0.8471 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0253 0.4077 0.4077
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0479 0.8471 0.8471
Trichomonas vaginalis glutamine synthetase-bacteria, putative 0.0141 0.1893 0.5
Plasmodium vivax glutamine synthetase, putative 0.0359 0.6131 0.5
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0226 0.355 0.3152
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0558 0.0558
Brugia malayi ecdysone receptor 0.0226 0.355 0.4153
Echinococcus granulosus ecdysone induced protein 78C 0.0479 0.8471 0.8471
Loa Loa (eye worm) hypothetical protein 0.0253 0.4077 0.4778
Loa Loa (eye worm) hypothetical protein 0.0226 0.355 0.4152
Brugia malayi Nuclear hormone receptor-like 1 0.0253 0.4077 0.4779
Echinococcus multilocularis nuclear receptor nhr 48 0.0226 0.355 0.355
Brugia malayi nuclear receptor NHR-67 0.0226 0.355 0.4153
Loa Loa (eye worm) DR-78 0.0226 0.355 0.4152
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0226 0.355 0.355
Loa Loa (eye worm) hypothetical protein 0.0479 0.8471 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0479 0.8471 0.8471
Loa Loa (eye worm) nuclear receptor NHR-67 0.0226 0.355 0.4152
Trypanosoma brucei glutamine synthetase, putative 0.0558 1 0.5
Schistosoma mansoni nuclear receptor 0.0226 0.355 0.3152
Brugia malayi nuclear hormone receptor family member odr-7 0.0226 0.355 0.4153
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0479 0.8471 0.8471
Brugia malayi tailless protein 0.0226 0.355 0.4153
Loa Loa (eye worm) hypothetical protein 0.0253 0.4077 0.4778
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0479 0.8471 1
Onchocerca volvulus 0.0479 0.8471 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0479 0.8471 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0479 0.8471 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0479 0.8471 1
Brugia malayi Nuclear hormone receptor E75 0.0226 0.355 0.4153
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0479 0.8471 0.8377
Brugia malayi nuclear hormone receptor family member nhr-6 0.0226 0.355 0.4153
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0226 0.355 0.4153
Loa Loa (eye worm) hypothetical protein 0.0226 0.355 0.4152
Brugia malayi hypothetical protein 0.0226 0.355 0.4153
Entamoeba histolytica glutamine synthetase, putative 0.0141 0.1893 0.5
Loa Loa (eye worm) hypothetical protein 0.0479 0.8471 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0226 0.355 0.355
Mycobacterium ulcerans glutamine synthetase 0.0359 0.6131 1
Schistosoma mansoni thyroid hormone receptor 0.0479 0.8471 0.8377
Loa Loa (eye worm) hypothetical protein 0.0226 0.355 0.4152
Brugia malayi steroid hormone receptor 0.0479 0.8471 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.0642 0.0064
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0479 0.8471 1
Schistosoma mansoni nuclear hormone receptor 0.0479 0.8471 0.8377
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0226 0.355 0.355
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0479 0.8471 0.8471
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0479 0.8471 0.8471
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0226 0.355 0.355
Brugia malayi nuclear receptor NHR-88 0.0479 0.8471 1
Schistosoma mansoni nuclear receptor nhr-48 0.0226 0.355 0.3152
Schistosoma mansoni retinoic acid receptor RXR 0.0479 0.8471 0.8377
Trichomonas vaginalis glutamine synthetase, putative 0.0141 0.1893 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0479 0.8471 1
Onchocerca volvulus Glutamine synthetase homolog 0.0359 0.6131 0.5244
Loa Loa (eye worm) hypothetical protein 0.0479 0.8471 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0479 0.8471 1
Loa Loa (eye worm) Gln-2 protein 0.0359 0.6131 0.7218
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0226 0.355 0.355
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0479 0.8471 0.8377
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0479 0.8471 0.8471
Schistosoma mansoni glutamine synthetase bacteria 0.0141 0.1893 0.1392
Loa Loa (eye worm) steroid hormone receptor 0.0479 0.8471 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0479 0.8471 1
Plasmodium falciparum glutamine synthetase, putative 0.0359 0.6131 0.5
Loa Loa (eye worm) hypothetical protein 0.0226 0.355 0.4152
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0479 0.8471 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0479 0.8471 1
Brugia malayi ecdysteroid receptor 0.0479 0.8471 1
Schistosoma mansoni glutamine synthetase 1 2 (glutamate-amonia ligase) (gs) 0.0558 1 1
Brugia malayi hypothetical protein 0.0226 0.355 0.4153
Brugia malayi glutamine synthetase 0.0199 0.3026 0.353
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0253 0.4077 0.4778
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0479 0.8471 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0479 0.8471 0.8471
Mycobacterium ulcerans hypothetical protein 0.0141 0.1893 0.2363
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0479 0.8471 0.8471
Schistosoma mansoni thyroid hormone receptor 0.0479 0.8471 0.8377
Loa Loa (eye worm) hypothetical protein 0.0226 0.355 0.4152
Loa Loa (eye worm) hypothetical protein 0.0052 0.0158 0.0119
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0479 0.8471 0.8377
Schistosoma mansoni steroid hormone receptor ad4bp 0.0479 0.8471 0.8377
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0226 0.355 0.4152
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0479 0.8471 1
Loa Loa (eye worm) hypothetical protein 0.0479 0.8471 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0479 0.8471 0.8377
Brugia malayi hypothetical protein 0.0253 0.4077 0.4779
Brugia malayi nuclear receptor RXR 0.0226 0.355 0.4153
Echinococcus granulosus Nuclear hormone receptor HR96 0.0226 0.355 0.355
Schistosoma mansoni nuclear receptor 0.0226 0.355 0.3152
Entamoeba histolytica glutamine synthetase, putative 0.0141 0.1893 0.5
Loa Loa (eye worm) hypothetical protein 0.0226 0.355 0.4152
Toxoplasma gondii glutamine synthetase, type I, putative 0.0359 0.6131 1
Wolbachia endosymbiont of Brugia malayi glutamine synthetase 0.0141 0.1893 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0558 0.0558
Echinococcus granulosus Nuclear hormone receptor HR96 0.0226 0.355 0.355
Leishmania major glutamine synthetase, putative 0.0558 1 1
Loa Loa (eye worm) hypothetical protein 0.0226 0.355 0.4152
Loa Loa (eye worm) hypothetical protein 0.0479 0.8471 1
Schistosoma mansoni RAR-like nuclear receptor 0.0479 0.8471 0.8377
Loa Loa (eye worm) hypothetical protein 0.0479 0.8471 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0479 0.8471 0.8471
Onchocerca volvulus Bile acid receptor homolog 0.0479 0.8471 1
Mycobacterium ulcerans glutamine synthetase GlnA1 0.0359 0.6131 1
Mycobacterium tuberculosis Probable glutamine synthetase GlnA3 (glutamine synthase) (GS-I) 0.0141 0.1893 0.2363
Mycobacterium leprae PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II) 0.0359 0.6131 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.0816 0.0902
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0479 0.8471 0.8471
Echinococcus multilocularis thyroid hormone receptor alpha 0.0479 0.8471 0.8471
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0479 0.8471 0.8471
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0253 0.4077 0.3712
Brugia malayi Bromodomain containing protein 0.0091 0.0917 0.1023
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0226 0.355 0.355
Loa Loa (eye worm) hypothetical protein 0.0253 0.4077 0.4778
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0479 0.8471 1
Loa Loa (eye worm) hypothetical protein 0.0226 0.355 0.4152
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0479 0.8471 0.8471
Brugia malayi nuclear hormone receptor 0.0226 0.355 0.4153
Loa Loa (eye worm) hypothetical protein 0.0226 0.355 0.4152
Schistosoma mansoni glutamine synthetase bacteria 0.0141 0.1893 0.1392
Trypanosoma cruzi glutamine synthetase, putative 0.0558 1 0.5
Brugia malayi Nuclear hormone receptor E75 0.0226 0.355 0.4153
Loa Loa (eye worm) hypothetical protein 0.0226 0.355 0.4152
Loa Loa (eye worm) hypothetical protein 0.0479 0.8471 1
Echinococcus granulosus FTZ F1 alpha 0.0479 0.8471 0.8471
Trypanosoma cruzi glutamine synthetase, putative 0.0558 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0479 0.8471 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0479 0.8471 1
Echinococcus multilocularis FTZ F1 alpha 0.0479 0.8471 0.8471
Echinococcus multilocularis ecdysone induced protein 78C 0.0479 0.8471 0.8471
Schistosoma mansoni nuclear hormone receptor 0.0226 0.355 0.3152
Brugia malayi Nuclear hormone receptor-like 1 0.0479 0.8471 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0479 0.8471 1
Echinococcus multilocularis glutamine synthetase 0.0558 1 1
Loa Loa (eye worm) hypothetical protein 0.0253 0.4077 0.4778
Brugia malayi hypothetical protein 0.0253 0.4077 0.4779
Loa Loa (eye worm) hypothetical protein 0.0226 0.355 0.4152
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0582 0.0582
Loa Loa (eye worm) nuclear hormone receptor 0.0226 0.355 0.4152
Brugia malayi conserved hypotetical protein 0.0226 0.355 0.4153
Loa Loa (eye worm) hypothetical protein 0.0226 0.355 0.4152
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0582 0.0582

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 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 (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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