Detailed information for compound 1364223

Basic information

Technical information
  • TDR Targets ID: 1364223
  • Name: 4-(4-bromo-2-methylphenoxy)-N-(3-methoxypropy l)butan-1-amine; oxalic acid
  • MW: 420.295 | Formula: C17H26BrNO6
  • H donors: 3 H acceptors: 4 LogP: 0.91 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.COCCCNCCCCOc1ccc(cc1C)Br
  • InChi: 1S/C15H24BrNO2.C2H2O4/c1-13-12-14(16)6-7-15(13)19-11-4-3-8-17-9-5-10-18-2;3-1(4)2(5)6/h6-7,12,17H,3-5,8-11H2,1-2H3;(H,3,4)(H,5,6)
  • InChiKey: ORTVQYFTGXPTSF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(4-bromo-2-methyl-phenoxy)-N-(3-methoxypropyl)butan-1-amine; oxalic acid
  • 4-(4-bromo-2-methyl-phenoxy)butyl-(3-methoxypropyl)amine; oxalic acid
  • 4-(4-bromo-2-methyl-phenoxy)-N-(3-methoxypropyl)butan-1-amine; ethanedioic acid
  • [4-(4-bromo-2-methylphenoxy)butyl](3-methoxypropyl)amine oxalate
  • MLS000666707
  • SMR000271288

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing 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
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 expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Pre-SET motif family protein 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
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative 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
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
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
Schistosoma mansoni jumonji domain containing 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
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 Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0079 0.1062 0.2905
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.056 0.9638 1
Schistosoma mansoni pyruvate carboxylase 0.0221 0.3599 0.3599
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.058 1 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0079 0.1062 0.172
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.002 0.0023 0.0024
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.005 0.0551 0.0874
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0079 0.1062 0.1062
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.002 0.0023 0.0023
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0079 0.1062 0.2905
Loa Loa (eye worm) hypothetical protein 0.002 0.0023 0.0024
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1293 0.1293
Brugia malayi F/Y-rich N-terminus family protein 0.0023 0.0078 0.0081
Loa Loa (eye worm) hypothetical protein 0.0041 0.0394 0.0409
Brugia malayi Pre-SET motif family protein 0.0252 0.4151 0.4307
Mycobacterium ulcerans pyruvate carboxylase 0.0221 0.3599 1
Schistosoma mansoni aspartate carbamoyltransferase 0.005 0.0551 0.0551
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0533 0.0533
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0221 0.3599 1
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0221 0.3599 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0079 0.1062 0.2905
Treponema pallidum pyruvate carboxylase subunit B 0.002 0.0023 0.5
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0099 0.1424 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0316 0.0316
Schistosoma mansoni cpg binding protein 0.0037 0.0314 0.0314
Plasmodium falciparum phd finger protein, putative 0.0035 0.0288 0.0372
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.005 0.0551 0.0742
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0221 0.3599 0.3584
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.002 0.0023 0.0023
Schistosoma mansoni hypothetical protein 0.0035 0.0288 0.0288
Trichomonas vaginalis set domain proteins, putative 0.0287 0.477 0.5
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0079 0.1062 0.2905
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0079 0.1062 0.1041
Echinococcus multilocularis geminin 0.0205 0.3306 0.3306
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.042 0.7143 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0736 0.0764
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0079 0.1062 0.2905
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1715 0.1715
Plasmodium falciparum carbamoyl phosphate synthetase 0.005 0.0551 0.0742
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0733 0.0761
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.042 0.042
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0079 0.1062 0.2905
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1715 0.1715
Brugia malayi jmjC domain containing protein 0.0045 0.0455 0.0472
Toxoplasma gondii carbamoylphosphate synthetase 0.005 0.0551 0.0529
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0099 0.1424 0.5
Trypanosoma brucei acetyl-CoA carboxylase 0.058 1 1
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.042 0.7143 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0221 0.3599 0.3584
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.002 0.0023 0.0023
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0279 0.0289
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.002 0.0023 0.0023
Brugia malayi Carboxyl transferase domain containing protein 0.056 0.9638 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0455 0.0455
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0079 0.1062 0.1062
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.002 0.0023 0.0023
Echinococcus granulosus cpg binding protein 0.0037 0.0314 0.0314
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0288 0.0288
Schistosoma mansoni hypothetical protein 0.0041 0.0394 0.0394
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0733 0.0761
Loa Loa (eye worm) hypothetical protein 0.002 0.0023 0.0024
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0021 0.0043 0.0043
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0316 0.0316
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.005 0.0551 0.0874
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0079 0.1062 0.2905
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0733 0.0761
Chlamydia trachomatis biotin carboxylase 0.0201 0.3237 1
Brugia malayi PHD-finger family protein 0.0035 0.0288 0.0299
Echinococcus granulosus Biotin lipoyl attachment 0.002 0.0023 0.0023
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0221 0.3599 0.5922
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0455 0.0455
Leishmania major carbamoyl-phosphate synthase, putative 0.005 0.0551 0.0529
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0316 0.0316
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.002 0.0023 0.0023
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0079 0.1062 0.1062
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0079 0.1062 0.172
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0221 0.3599 1
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0221 0.3599 1
Trypanosoma cruzi acetyl-CoA carboxylase 0.0359 0.6062 1
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0221 0.3599 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0733 0.0761
Onchocerca volvulus 0.0037 0.0316 0.0084
Loa Loa (eye worm) hypothetical protein 0.002 0.0023 0.0024
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.4151 0.4307
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0079 0.1062 0.2905
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0079 0.1062 0.1041
Echinococcus multilocularis Biotin lipoyl attachment 0.002 0.0023 0.0023
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0855 0.0834
Schistosoma mansoni carbamoyl-phosphate synthetase 0.005 0.0551 0.0551
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.058 1 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0533 0.0533
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0316 0.0316
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0455 0.0472
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.002 0.0023 0.0024
Leishmania major carboxylase, putative 0.0221 0.3599 0.3584
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0316 0.0294
Onchocerca volvulus 0.0287 0.477 1
Brugia malayi jmjC domain containing protein 0.0115 0.1715 0.1779
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0221 0.3599 0.3584
Schistosoma mansoni cpg binding protein 0.0035 0.0279 0.0279
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.058 1 1
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0221 0.3599 0.3599
Echinococcus granulosus geminin 0.0205 0.3306 0.3306
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.005 0.0551 0.1476
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.005 0.0551 0.0529
Schistosoma mansoni carbamoyl-phosphate synthetase 0.005 0.0551 0.0551
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0079 0.1062 0.2905
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0079 0.1062 0.172
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0288 0.0288
Brugia malayi Bromodomain containing protein 0.0035 0.0288 0.0299
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.002 0.0023 0.0023
Echinococcus granulosus peregrin 0.0035 0.0288 0.0288
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0288 0.0288
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0221 0.3599 0.3599
Trypanosoma brucei unspecified product 0.0145 0.225 0.2232
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0221 0.3599 0.3599
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0079 0.1062 0.2905
Brugia malayi Pre-SET motif family protein 0.0037 0.0316 0.0328
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0455 0.0455
Schistosoma mansoni acetyl-CoA carboxylase 0.058 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0288 0.0299
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0079 0.1062 0.2905
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0079 0.1062 0.1041
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.005 0.0551 0.1476
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.0995 0.0995
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0221 0.3599 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0394 0.0409
Echinococcus multilocularis cpg binding protein 0.0037 0.0314 0.0314
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0221 0.3599 0.5922
Plasmodium vivax SET domain protein, putative 0.0037 0.0316 0.0412
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.002 0.0023 0.0024
Schistosoma mansoni cpg binding protein 0.0037 0.0314 0.0314
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0288 0.0372
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0288 0.0266
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0288 0.0266
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0956 0.0992
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0079 0.1062 0.1041
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0079 0.1062 0.2905
Schistosoma mansoni hypothetical protein 0.0205 0.3306 0.3306
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0221 0.3599 0.3599
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0279 0.0279
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0316 0.0316
Echinococcus multilocularis peregrin 0.0035 0.0288 0.0288
Toxoplasma gondii pyruvate carboxylase 0.0221 0.3599 0.3584
Loa Loa (eye worm) hypothetical protein 0.0035 0.0288 0.0299
Onchocerca volvulus Alhambra homolog 0.0035 0.0288 0.0021
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0079 0.1062 0.3233
Loa Loa (eye worm) hypothetical protein 0.0037 0.0316 0.0328
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0316 0.0316
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.002 0.0023 0.0023
Brugia malayi CXXC zinc finger family protein 0.0035 0.0279 0.0289
Leishmania major acetyl-CoA carboxylase, putative 0.058 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0316 0.0316
Schistosoma mansoni hypothetical protein 0.0205 0.3306 0.3306
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0221 0.3599 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.6169 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) 2.8184 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 11.5821 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 19.9526 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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