Detailed information for compound 882848

Basic information

Technical information
  • TDR Targets ID: 882848
  • Name: 7-bromo-2-methyl-1-pyridin-4-yl-1H-chromeno[2 ,3-c]pyrrole-3,9-dione
  • MW: 371.185 | Formula: C17H11BrN2O3
  • H donors: 0 H acceptors: 3 LogP: 2.11 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccncc1)C
  • InChi: 1S/C17H11BrN2O3/c1-20-14(9-4-6-19-7-5-9)13-15(21)11-8-10(18)2-3-12(11)23-16(13)17(20)22/h2-8,14H,1H3
  • InChiKey: JCQKMWYCKXOHBD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-bromo-2-methyl-1-(4-pyridyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
  • 7-bromo-2-methyl-1-(4-pyridyl)-1H-chromeno[2,3-c]pyrrole-3,9-quinone
  • MLS000083630
  • SMR000046626

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
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
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0029 0.0081 0.0081
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.008 0.0346 0.0346
Mycobacterium ulcerans DNA polymerase IV 0.0033 0.0104 1
Schistosoma mansoni hypothetical protein 0.0029 0.0081 0.0081
Loa Loa (eye worm) glutathione reductase 0.0038 0.0128 0.0066
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0037 0.0122 0.0122
Brugia malayi hypothetical protein 0.0047 0.0176 0.0176
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.0104 0.5903
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.1944 1 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0119 0.0119
Echinococcus granulosus dna polymerase kappa 0.0033 0.0104 0.0104
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0033 0.0104 0.0733
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.1944 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0087 0.038 0.8837
Loa Loa (eye worm) hypothetical protein 0.0033 0.0104 0.0041
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0119 0.6753
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0119 0.0119
Trypanosoma brucei trypanothione reductase 0.0038 0.0128 0.7311
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.1381 0.1326
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.0104 0.5903
Loa Loa (eye worm) hypothetical protein 0.0047 0.0176 0.0113
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1234 0.1178
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.0104 0.5903
Echinococcus granulosus dna polymerase eta 0.0033 0.0104 0.0104
Trypanosoma brucei unspecified product 0.0023 0.005 0.2867
Schistosoma mansoni hypothetical protein 0.0025 0.0063 0.0063
Mycobacterium tuberculosis Probable dehydrogenase 0.0087 0.038 0.8837
Brugia malayi Pre-SET motif family protein 0.0251 0.1234 0.1234
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0025 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.008 0.0346 0.0285
Plasmodium vivax SET domain protein, putative 0.0036 0.0119 0.6753
Echinococcus multilocularis dna polymerase eta 0.0033 0.0104 0.0104
Brugia malayi Latrophilin receptor protein 2 0.0025 0.0063 0.0063
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0037 0.0122 0.0122
Brugia malayi MH2 domain containing protein 0.0096 0.0428 0.0428
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0096 0.043 1
Echinococcus multilocularis GPCR, family 2 0.0025 0.0063 0.0063
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0087 0.038 0.8837
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0096 0.043 1
Leishmania major trypanothione reductase 0.0038 0.0128 0.7311
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0025 0.0063 0.0063
Trypanosoma brucei PAB1-binding protein , putative 0.0047 0.0176 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0096 0.043 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.0104 0.5903
Plasmodium falciparum ataxin-2 like protein, putative 0.0047 0.0176 1
Schistosoma mansoni DNA polymerase eta 0.0033 0.0104 0.0104
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.005 0.2867
Echinococcus granulosus geminin 0.0452 0.2275 0.2275
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.0104 0.5903
Toxoplasma gondii LsmAD domain-containing protein 0.0047 0.0176 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0047 0.0176 1
Brugia malayi glutathione reductase 0.0038 0.0128 0.0128
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.0104 0.5903
Giardia lamblia DINP protein human, muc B family 0.0033 0.0104 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.0128 0.2985
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1414 1
Toxoplasma gondii thioredoxin reductase 0.0038 0.0128 0.7311
Brugia malayi latrophilin 2 splice variant baaae 0.0055 0.0215 0.0215
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0128 0.7311
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0029 0.0081 0.0081
Echinococcus granulosus GPCR family 2 0.0025 0.0063 0.0063
Treponema pallidum NADH oxidase 0.0013 0 0.5
Plasmodium falciparum thioredoxin reductase 0.0038 0.0128 0.7311
Echinococcus multilocularis geminin 0.0452 0.2275 0.2275
Loa Loa (eye worm) pigment dispersing factor receptor c 0.008 0.0346 0.0285
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0119 0.0119
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0651 0.3303 0.3303
Trypanosoma brucei DNA polymerase eta, putative 0.0033 0.0104 0.5903
Plasmodium vivax glutathione reductase, putative 0.0038 0.0128 0.7311
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0025 0.0063 0.0063
Schistosoma mansoni transcription factor LCR-F1 0.0029 0.0081 0.0081
Schistosoma mansoni hypothetical protein 0.0452 0.2275 0.2275
Trypanosoma cruzi DNA polymerase kappa, putative 0.0033 0.0104 0.5903
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0033 0.0104 0.0104
Brugia malayi follicle stimulating hormone receptor 0.028 0.1381 0.1381
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0037 0.0122 0.0122
Echinococcus multilocularis vesicular acetylcholine transporter 0.1944 1 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0033 0.0104 0.5903
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.005 0.2867
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0021 0.0041 0.0041
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0119 0.0119
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0119 0.0119
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0021 0.0041 0.0041
Mycobacterium ulcerans DNA polymerase IV 0.0033 0.0104 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0096 0.0428 0.0367
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0119 0.0119
Brugia malayi Calcitonin receptor-like protein seb-1 0.008 0.0346 0.0346
Leishmania major DNA polymerase kappa, putative 0.0033 0.0104 0.5903
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0033 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0036 0.0119 0.0056
Schistosoma mansoni hypothetical protein 0.0025 0.0063 0.0063
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0033 0.0104 0.0041
Schistosoma mansoni terminal deoxycytidyl transferase 0.0033 0.0104 0.0104
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0122 0.0122
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0087 0.038 0.8837
Plasmodium vivax ataxin-2 like protein, putative 0.0047 0.0176 1
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.0128 0.7311
Leishmania major hypothetical protein, conserved 0.0047 0.0176 1
Schistosoma mansoni hypothetical protein 0.0055 0.0215 0.0215
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0096 0.043 1
Schistosoma mansoni hypothetical protein 0.0025 0.0063 0.0063
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0128 0.0128
Trypanosoma cruzi DNA polymerase kappa, putative 0.0033 0.0104 0.5903
Trypanosoma cruzi PAB1-binding protein , putative 0.0047 0.0176 1
Onchocerca volvulus 0.0286 0.1414 0.1311
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.0104 0.5903
Echinococcus granulosus vesicular acetylcholine transporter 0.1944 1 1
Schistosoma mansoni vesicular acetylcholine transporter 0.1944 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0033 0.0104 0.241
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0122 0.0122
Trichomonas vaginalis DNA polymerase eta, putative 0.0033 0.0104 0.0733
Plasmodium falciparum glutathione reductase 0.0038 0.0128 0.7311
Trypanosoma brucei DNA polymerase IV, putative 0.0033 0.0104 0.5903
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.0104 0.5903
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0033 0.0104 0.0104
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0128 0.0066
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0033 0.0104 0.241
Trypanosoma cruzi DNA polymerase kappa, putative 0.0033 0.0104 0.5903
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0025 0.0063 0.0063
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0037 0.0122 0.0059
Echinococcus multilocularis dna polymerase kappa 0.0033 0.0104 0.0104
Trypanosoma cruzi DNA polymerase kappa, putative 0.0033 0.0104 0.5903
Loa Loa (eye worm) transcription factor SMAD2 0.0096 0.0428 0.0367
Brugia malayi hypothetical protein 0.003 0.0089 0.0089
Trypanosoma brucei DNA polymerase IV, putative 0.0033 0.0104 0.5903
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0025 0.0063 0.0063
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0119 0.0119
Brugia malayi ImpB/MucB/SamB family protein 0.0033 0.0104 0.0104
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0037 0.0122 0.0122
Schistosoma mansoni hypothetical protein 0.0025 0.0063 0.0063
Brugia malayi hypothetical protein 0.0029 0.0081 0.0081
Entamoeba histolytica deoxycytidyl transferase, putative 0.0033 0.0104 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0112 0.0112
Brugia malayi ImpB/MucB/SamB family protein 0.0033 0.0104 0.0104
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0119 0.0119
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.0104 0.5903
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.005 0.2867
Trypanosoma cruzi PAB1-binding protein , putative 0.0047 0.0176 1
Trypanosoma brucei unspecified product 0.0023 0.005 0.2867
Loa Loa (eye worm) hypothetical protein 0.0055 0.0215 0.0153
Trypanosoma brucei DNA polymerase IV, putative 0.0033 0.0104 0.5903
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0122 0.0122
Leishmania major DNA polymerase eta, putative 0.0033 0.0104 0.5903
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.0104 0.5903
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0037 0.0122 0.0122
Schistosoma mansoni hypothetical protein 0.0452 0.2275 0.2275
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0087 0.038 0.8837
Trypanosoma brucei unspecified product 0.0033 0.0104 0.5903
Brugia malayi Thioredoxin reductase 0.0038 0.0128 0.0128
Schistosoma mansoni hypothetical protein 0.0021 0.0041 0.0041
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0128 0.0128
Trypanosoma cruzi DNA polymerase eta, putative 0.0033 0.0104 0.5903
Mycobacterium tuberculosis Probable reductase 0.0087 0.038 0.8837

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 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) = 37.6505 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] 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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