Detailed information for compound 1440305

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 235.345 | Formula: C13H17NOS
  • H donors: 1 H acceptors: 1 LogP: 2.83 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccccc1C(=S)N1CCCCCC1
  • InChi: 1S/C13H17NOS/c15-12-8-4-3-7-11(12)13(16)14-9-5-1-2-6-10-14/h3-4,7-8,15H,1-2,5-6,9-10H2
  • InChiKey: GMMHAHQRANMSCS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica aminopeptidase, putative 0.0223 0.2431 1
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0896 1 1
Schistosoma mansoni polycystin 1-related 0.0024 0.0197 0.0359
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0144 0.1551 0.3354
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0197 0.0186
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0144 0.1551 0.1801
Schistosoma mansoni aminopeptidase A (M01 family) 0.0078 0.0809 0.1475
Brugia malayi TATA binding protein associated factor 0.0078 0.0809 0.0891
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0223 0.2431 0.5987
Loa Loa (eye worm) inositol-1 0.0045 0.0431 0.0489
Toxoplasma gondii aminopeptidase N, putative 0.0078 0.0809 0.0482
Leishmania major polypeptide deformylase-like protein, putative 0.0342 0.3772 1
Brugia malayi Doublecortin family protein 0.0024 0.0197 0.016
Loa Loa (eye worm) TATA binding protein associated factor 0.0078 0.0809 0.0994
Onchocerca volvulus 0.0078 0.0809 0.0743
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0223 0.2431 0.285
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0078 0.0809 0.1475
Trypanosoma cruzi Peptide deformylase 2, putative 0.0342 0.3772 1
Schistosoma mansoni cpg binding protein 0.0037 0.0341 0.0623
Onchocerca volvulus 0.0287 0.3154 0.3592
Trypanosoma brucei aminopeptidase, putative 0.0078 0.0809 0.1132
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0319 0.034
Brugia malayi Inositol-1 0.0045 0.0431 0.0439
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0223 0.2431 0.4434
Loa Loa (eye worm) hypothetical protein 0.0533 0.5927 0.7832
Brugia malayi hypothetical protein 0.0223 0.2431 0.2831
Trypanosoma cruzi aminopeptidase, putative 0.0078 0.0809 0.1132
Onchocerca volvulus 0.0223 0.2431 0.2714
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0683 0.0352
Plasmodium falciparum peptide deformylase 0.0896 1 1
Onchocerca volvulus 0.0756 0.8429 1
Brugia malayi Peptidase family M1 containing protein 0.0756 0.8429 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0343 0.036
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.2763 0.3606
Plasmodium vivax peptide deformylase, putative 0.0896 1 1
Schistosoma mansoni loxhd1 0.0024 0.0197 0.0359
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.032 0.0332
Brugia malayi Pre-SET motif family protein 0.0037 0.0343 0.0334
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0144 0.1551 0.283
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0078 0.0809 0.0624
Echinococcus granulosus RUN 0.0024 0.0197 0.0186
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0197 0.0186
Loa Loa (eye worm) hypothetical protein 0.0144 0.1551 0.1986
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0197 0.0177
Mycobacterium ulcerans peptide deformylase 0.0896 1 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0342 0.3772 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0078 0.0809 0.0994
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0065 0.0028
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0896 1 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0078 0.0809 0.1132
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5483 0.6488
Schistosoma mansoni inositol monophosphatase 0.0045 0.0431 0.0785
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5483 0.6488
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0223 0.2431 0.285
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0223 0.2431 0.285
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0343 0.036
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0078 0.0809 0.2523
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0343 0.0626
Loa Loa (eye worm) hypothetical protein 0.0078 0.0809 0.0994
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0197 0.0186
Echinococcus multilocularis aminopeptidase N 0.0756 0.8429 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0041 0.0075
Brugia malayi hypothetical protein 0.0078 0.0809 0.0891
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0197 0.0186
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0078 0.0809 0.1475
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0679 0.076
Loa Loa (eye worm) hypothetical protein 0.0037 0.0343 0.0372
Brugia malayi Peptidase family M1 containing protein 0.0223 0.2431 0.2831
Trypanosoma cruzi Aminopeptidase M1, putative 0.0223 0.2431 0.5987
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0343 0.0626
Schistosoma mansoni inositol monophosphatase 0.0045 0.0431 0.0785
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0223 0.2431 0.5987
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.0771 0.1407
Toxoplasma gondii aminopeptidase n, putative 0.0078 0.0809 0.0482
Treponema pallidum polypeptide deformylase (def) 0.0896 1 0.5
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0431 0.0465
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0431 0.0091
Loa Loa (eye worm) hypothetical protein 0.0078 0.0809 0.0994
Plasmodium vivax SET domain protein, putative 0.0037 0.0343 0.0149
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0078 0.0809 0.1132
Loa Loa (eye worm) hypothetical protein 0.0024 0.0197 0.0177
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0223 0.2431 0.285
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0078 0.0809 0.1132
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0078 0.0809 0.0624
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0078 0.0809 0.0915
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0343 0.0626
Brugia malayi CXXC zinc finger family protein 0.0035 0.0319 0.0306
Loa Loa (eye worm) aminopeptidase N 0.0223 0.2431 0.3162
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0223 0.2431 0.7696
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0223 0.2431 0.4434
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0431 0.1317
Echinococcus granulosus aminopeptidase N 0.0756 0.8429 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0896 1 1
Schistosoma mansoni rab6-interacting 0.0024 0.0197 0.0359
Echinococcus granulosus leukotriene A 4 hydrolase 0.0078 0.0809 0.0915
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0197 0.0186
Trypanosoma brucei Aminopeptidase M1, putative 0.0223 0.2431 0.5987
Schistosoma mansoni cpg binding protein 0.0035 0.0319 0.0582
Schistosoma mansoni hypothetical protein 0.0024 0.0197 0.0359
Schistosoma mansoni lipoxygenase 0.0067 0.0679 0.1238
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0223 0.2431 0.5987
Echinococcus multilocularis RUN 0.0024 0.0197 0.0186
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0078 0.0809 0.0624
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0431 0.1317
Brugia malayi hypothetical protein 0.0024 0.0197 0.016
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0078 0.0809 0.1132
Trichomonas vaginalis set domain proteins, putative 0.0287 0.3154 1
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0223 0.2431 0.285
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0343 0.0626
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0065 0.0028
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0223 0.2431 0.7696
Loa Loa (eye worm) hypothetical protein 0.0144 0.1551 0.1986
Schistosoma mansoni cpg binding protein 0.0037 0.0341 0.0623
Onchocerca volvulus 0.0037 0.0343 0.0178
Brugia malayi Peptidase family M1 containing protein 0.0078 0.0809 0.0891
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0078 0.0809 0.0624
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0078 0.0809 0.1132
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0223 0.2431 0.285
Echinococcus granulosus cpg binding protein 0.0037 0.0341 0.0358
Trypanosoma cruzi aminopeptidase, putative 0.0223 0.2431 0.5987
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0078 0.0809 0.0915
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0223 0.2431 0.285
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0343 0.036
Brugia malayi hypothetical protein 0.0024 0.0197 0.016
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0223 0.2431 0.285
Toxoplasma gondii aminopeptidase N protein 0.0078 0.0809 0.0482
Brugia malayi Pre-SET motif family protein 0.0252 0.2763 0.3228
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0679 0.076
Schistosoma mansoni lipoxygenase 0.0024 0.0197 0.0359
Trypanosoma cruzi Peptide deformylase 2, putative 0.0342 0.3772 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0223 0.2431 0.5987
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0342 0.3772 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0223 0.2431 0.285
Toxoplasma gondii hypothetical protein 0.0896 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0197 0.0177
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0431 0.1317
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0197 0.0186
Trypanosoma brucei Peptide deformylase 2 0.0342 0.3772 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0809 0.0994
Loa Loa (eye worm) hypothetical protein 0.0678 0.7549 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0078 0.0809 0.1132
Echinococcus multilocularis cpg binding protein 0.0037 0.0341 0.0358
Trypanosoma brucei Aminopeptidase M1, putative 0.0223 0.2431 0.5987
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0078 0.0809 0.0915
Onchocerca volvulus 0.0035 0.0319 0.0148
Schistosoma mansoni hypothetical protein 0.0494 0.5483 1
Schistosoma mansoni rab6-interacting 0.0024 0.0197 0.0359
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0223 0.2431 0.285
Mycobacterium ulcerans aminopeptidase N PepN 0.0078 0.0809 0.0395
Mycobacterium ulcerans aminopeptidase N PepN 0.0223 0.2431 0.209
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0431 0.0465
Trypanosoma brucei Polypeptide deformylase 1 0.0342 0.3772 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0612 0.6806 0.9008

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 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) 4.4668 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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