Detailed information for compound 1313000

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 471.342 | Formula: C20H27BrN2O6
  • H donors: 3 H acceptors: 6 LogP: 0.36 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.Brc1ccc(c(c1)CN1CCCC(C1)C(=O)N1CCCCC1)O
  • InChi: 1S/C18H25BrN2O2.C2H2O4/c19-16-6-7-17(22)15(11-16)13-20-8-4-5-14(12-20)18(23)21-9-2-1-3-10-21;3-1(4)2(5)6/h6-7,11,14,22H,1-5,8-10,12-13H2;(H,3,4)(H,5,6)
  • InChiKey: CDZSEXWJMHXTIH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum phd finger protein, putative 0.0035 0.0038 0.1915
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0126 0.0195 0.0195
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0126 0.0195 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0038 0.0038
Brugia malayi Cytochrome P450 family protein 0.0027 0.0024 0.0024
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0126 0.0195 1
Schistosoma mansoni ceramide glucosyltransferase 0.58 1 1
Leishmania major cytochrome p450-like protein 0.0027 0.0024 0.1089
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0126 0.0195 1
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0015 0.0003 0.5
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0027 0.0024 0.077
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0027 0.0024 0.1089
Schistosoma mansoni mixed-lineage leukemia protein mll 0.002 0.0012 0.0008
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0015 0.0003 0.0003
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0126 0.0195 0.0192
Brugia malayi Bromodomain containing protein 0.0035 0.0038 0.0038
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0062 0.0062
Echinococcus multilocularis peregrin 0.0035 0.0038 0.0038
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0104 0.0101
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.0587 0.1225
Toxoplasma gondii isocitrate dehydrogenase 0.0126 0.0195 1
Echinococcus granulosus cytochrome P450 2K1 0.0027 0.0024 0.0024
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0015 0.0003 0.0003
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0027 0.0024 0.077
Brugia malayi CXXC zinc finger family protein 0.0035 0.0037 0.0037
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0126 0.0195 1
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0027 0.0024 0.077
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0027 0.0024 0.077
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0027 0.0024 0.077
Brugia malayi jmjC domain containing protein 0.0115 0.0176 0.0176
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0027 0.0024 0.077
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.083 0.083
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.0587 1
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0027 0.0024 0.077
Trypanosoma cruzi cytochrome P450, putative 0.0095 0.0142 0.6867
Schistosoma mansoni ceramide glucosyltransferase 0.58 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0054 0.0051
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0126 0.0195 1
Brugia malayi F/Y-rich N-terminus family protein 0.0022 0.0015 0.0015
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0027 0.0024 0.077
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0037 0.0037
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.0587 1
Mycobacterium leprae Conserved hypothetical protein 0.0027 0.0024 0.077
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0027 0.0024 0.077
Giardia lamblia Ceramide glucosyltransferase 0.2629 0.4521 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0015 0.0003 0.0003
Brugia malayi isocitrate dehydrogenase 0.0126 0.0195 0.0195
Brugia malayi Cytochrome P450 family protein 0.0095 0.0142 0.0142
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0027 0.0024 0.077
Echinococcus granulosus cpg binding protein 0.0037 0.004 0.004
Echinococcus granulosus peregrin 0.0035 0.0038 0.0038
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0587 1
Brugia malayi Cytochrome P450 family protein 0.0095 0.0142 0.0142
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0126 0.0195 0.0195
Brugia malayi cytochrome P450 0.0027 0.0024 0.0024
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0054 0.0054
Schistosoma mansoni cpg binding protein 0.0035 0.0037 0.0033
Trypanosoma brucei cytochrome P450, putative 0.0095 0.0142 0.6867
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0027 0.0024 0.077
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0027 0.0024 0.077
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0027 0.0024 0.077
Brugia malayi Isocitrate dehydrogenase 0.0126 0.0195 0.0195
Schistosoma mansoni cpg binding protein 0.0037 0.004 0.0037
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0038 0.0034
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0126 0.0195 0.7068
Onchocerca volvulus Alhambra homolog 0.0035 0.0038 0.0001
Echinococcus multilocularis isocitrate dehydrogenase 0.0126 0.0195 0.0195
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0103 0.0102
Echinococcus multilocularis cpg binding protein 0.0037 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.006 0.0081 0.0081
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0587 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0027 0.0024 0.077
Schistosoma mansoni cpg binding protein 0.0037 0.004 0.0037
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0027 0.0024 0.077
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0027 0.0024 0.077
Echinococcus multilocularis ceramide glucosyltransferase 0.58 1 1
Brugia malayi jmjC domain containing protein 0.0045 0.0054 0.0054
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0054 0.0051
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0015 0.0003 0.0003
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0126 0.0195 0.0195
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0027 0.0024 0.077
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0587 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0027 0.0024 0.077
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0587 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0062 0.0062
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0095 0.0142 0.5095
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0015 0.0003 0.0003
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0126 0.0195 0.0195
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0027 0.0024 0.077
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0126 0.0195 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0587 1
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0027 0.0024 0.077
Schistosoma mansoni hypothetical protein 0.0494 0.083 0.0827
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0587 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0027 0.0024 0.077
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0015 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0068 0.0094 0.0094
Brugia malayi Cytochrome P450 family protein 0.0027 0.0024 0.0024
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0176 0.0176
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0015 0.0003 0.0003
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0054 0.0054
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0027 0.0024 0.077
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.0275 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0587 1
Schistosoma mansoni hypothetical protein 0.0027 0.0024 0.0021
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0027 0.0024 0.077
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0027 0.0024 0.077
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0027 0.0024 0.077
Echinococcus granulosus dnaJ subfamily B 0.0494 0.083 0.083
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0027 0.0024 0.077
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0051 0.0051
Schistosoma mansoni hypothetical protein 0.0035 0.0038 0.0034
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0027 0.0024 0.077
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0038 0.0785
Loa Loa (eye worm) hypothetical protein 0.0015 0.0003 0.0003
Echinococcus granulosus ceramide glucosyltransferase 0.58 1 1
Leishmania major cytochrome p450-like protein 0.0095 0.0142 0.7208
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0027 0.0024 0.077
Loa Loa (eye worm) ceramide glucosyltransferase 0.58 1 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0027 0.0024 0.077
Loa Loa (eye worm) isocitrate dehydrogenase 0.0126 0.0195 0.0195
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0027 0.0024 0.077
Brugia malayi PHD-finger family protein 0.0035 0.0038 0.0038
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0027 0.0024 0.077
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.58 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0095 0.0142 0.0142
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.0275 1
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0015 0.0003 0.0003
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0038 0.0785
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.009 0.3868
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0027 0.0024 0.077
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0027 0.0024 0.077
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0027 0.0024 0.077
Brugia malayi Probable isocitrate dehydrogenase 0.0015 0.0003 0.0003
Schistosoma mansoni cytochrome P450 0.0027 0.0024 0.0021
Loa Loa (eye worm) cytochrome P450 0.0027 0.0024 0.0024
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0135 0.0132
Echinococcus multilocularis 0.0027 0.0024 0.0024
Brugia malayi Probable isocitrate dehydrogenase 0.0015 0.0003 0.0003
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0027 0.0024 0.077
Trypanosoma cruzi cytochrome P450, putative 0.0095 0.0142 0.6867
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0027 0.0024 0.077
Mycobacterium leprae putative cytochrome p450 0.0027 0.0024 0.077
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0027 0.0024 0.077
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0024 0.0024
Loa Loa (eye worm) cytochrome P450 family protein 0.0095 0.0142 0.0142
Leishmania major cytochrome p450-like protein 0.0027 0.0024 0.1089
Loa Loa (eye worm) hypothetical protein 0.0035 0.0038 0.0038
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0176 0.0176
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0038 0.0038
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0027 0.0024 0.077
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0587 1
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0027 0.0024 0.077
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0126 0.0195 1
Toxoplasma gondii isocitrate dehydrogenase 0.0126 0.0195 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.0275 1
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0027 0.0024 0.077
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0126 0.0195 0.0195
Loa Loa (eye worm) CYP4Cod1 0.0095 0.0142 0.0142
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0038 0.1915
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0038 0.0038
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.0587 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 15.8489 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 25.1189 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) 25.1189 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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