Detailed information for compound 1605612

Basic information

Technical information
  • TDR Targets ID: 1605612
  • Name: 3-(3-methoxyphenyl)-1-[(1,7,7-trimethyl-2-bic yclo[2.2.1]heptanylidene)amino]thiourea
  • MW: 331.476 | Formula: C18H25N3OS
  • H donors: 2 H acceptors: 0 LogP: 3.94 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=S)N/N=C/1\CC2C(C1(C)CC2)(C)C
  • InChi: 1S/C18H25N3OS/c1-17(2)12-8-9-18(17,3)15(10-12)20-21-16(23)19-13-6-5-7-14(11-13)22-4/h5-7,11-12H,8-10H2,1-4H3,(H2,19,21,23)/b20-15+
  • InChiKey: UHLHPOAKYMBUPI-HMMYKYKNSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3-methoxyphenyl)-1-[(1,7,7-trimethylnorbornan-2-ylidene)amino]thiourea
  • 3-(3-methoxyphenyl)-1-[(1,7,7-trimethyl-2-norbornanylidene)amino]thiourea
  • T0515-2178
  • MLS001005248
  • SMR000348667

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
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 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0518 0.0765 0.0874
Leishmania major carboxylase, putative 0.2292 0.3744 0.3584
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0211 0.0249 0.0244
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0816 0.1264 0.1041
Echinococcus multilocularis expressed conserved protein 0.0112 0.0083 0.0077
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.018 0.0175
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.0276 0.0271
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0816 0.1264 0.126
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.1026 0.1618 0.5
Schistosoma mansoni hypothetical protein 0.035 0.0483 0.0478
Leishmania major carbamoyl-phosphate synthase, putative 0.0518 0.0765 0.0529
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0816 0.1264 0.2905
Loa Loa (eye worm) MBCTL1 0.0066 0.0005 0.0005
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.0833 0.0828
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0816 0.1264 0.2905
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.2292 0.3744 0.3741
Onchocerca volvulus 0.0182 0.0201 0.5
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0518 0.0765 0.1476
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.2292 0.3744 1
Schistosoma mansoni acetyl-CoA carboxylase 0.6018 1 1
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0518 0.0765 0.076
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0361 0.0322
Loa Loa (eye worm) hypothetical protein 0.0211 0.0249 0.0258
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0816 0.1264 0.172
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.0095 0.0093
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0816 0.1264 0.2905
Toxoplasma gondii carbamoylphosphate synthetase 0.0518 0.0765 0.0529
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.2292 0.3744 0.3741
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.2292 0.3744 0.5922
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0816 0.1264 0.2905
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0211 0.0249 0.0244
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0816 0.1264 0.1041
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0816 0.1264 0.3233
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0211 0.0249 0.0253
Schistosoma mansoni pyruvate carboxylase 0.2292 0.3744 0.3741
Mycobacterium ulcerans pyruvate carboxylase 0.2292 0.3744 1
Brugia malayi hypothetical protein 0.0182 0.0201 0.0204
Leishmania major acetyl-CoA carboxylase, putative 0.6018 1 1
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.018 0.0175
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0816 0.1264 0.2905
Schistosoma mansoni aspartate carbamoyltransferase 0.0518 0.0765 0.076
Trypanosoma brucei acetyl-CoA carboxylase 0.6018 1 1
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0816 0.1264 0.2905
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.2292 0.3744 0.3584
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.0098 0.0093
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.2292 0.3744 1
Echinococcus multilocularis Biotin lipoyl attachment 0.0211 0.0249 0.0244
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.0276 0.0271
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.2292 0.3744 0.5922
Trypanosoma brucei unspecified product 0.1507 0.2425 0.2232
Brugia malayi Carboxyl transferase domain containing protein 0.5807 0.9646 1
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0211 0.0249 0.0244
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0816 0.1264 0.2905
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0816 0.1264 0.1041
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.6018 1 1
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0211 0.0249 0.0244
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0518 0.0765 0.0529
Loa Loa (eye worm) hypothetical protein 0.0066 0.0005 0.0005
Toxoplasma gondii pyruvate carboxylase 0.2292 0.3744 0.3584
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0816 0.1264 0.2905
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0816 0.1264 0.2905
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.0833 0.0828
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0211 0.0249 0.0244
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0518 0.0765 0.0742
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0816 0.1264 0.1041
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.2292 0.3744 0.3584
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0816 0.1264 0.126
Echinococcus granulosus neuropeptide s receptor 0.0558 0.0833 0.0828
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.2292 0.3744 0.3741
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.2292 0.3744 1
Plasmodium falciparum carbamoyl phosphate synthetase 0.0518 0.0765 0.0742
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0211 0.0249 0.0244
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0518 0.0765 0.1476
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0211 0.0249 0.0253
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.2292 0.3744 1
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.2292 0.3744 1
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0211 0.0249 0.0244
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.0095 0.009
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0816 0.1264 0.126
Echinococcus granulosus Biotin lipoyl attachment 0.0211 0.0249 0.0244
Loa Loa (eye worm) hypothetical protein 0.0119 0.0095 0.0098
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0816 0.1264 0.172
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.2292 0.3744 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.4355 0.7208 1
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.4355 0.7208 1
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0211 0.0249 0.0244
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.6018 1 1
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.0095 0.009
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0518 0.0765 0.0874
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0816 0.1264 0.2905
Treponema pallidum pyruvate carboxylase subunit B 0.0211 0.0249 0.5
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.2292 0.3744 0.3584
Loa Loa (eye worm) hypothetical protein 0.0211 0.0249 0.0258
Chlamydia trachomatis biotin carboxylase 0.2082 0.339 1
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0211 0.0249 0.0253
Trypanosoma cruzi acetyl-CoA carboxylase 0.3726 0.6151 1
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0518 0.0765 0.076
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0816 0.1264 0.2905
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.1539 0.1535
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.6018 1 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0816 0.1264 0.172
Entamoeba histolytica acetyl-coA carboxylase, putative 0.1026 0.1618 1
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0816 0.1264 0.2905
Echinococcus granulosus expressed conserved protein 0.0112 0.0083 0.0077
Loa Loa (eye worm) hypothetical protein 0.0182 0.0201 0.0209
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.2292 0.3744 1
Loa Loa (eye worm) hypothetical protein 0.0211 0.0249 0.0258
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.2292 0.3744 0.3741
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.5807 0.9646 1
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.0833 0.0828

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 40 uM PUBCHEM_BIOASSAY: HTS Dose response counterscreen for assays utilizing the enzyme, beta-galactosidase - Set 2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1966, AID2569] ChEMBL. No reference
IC50 (functional) = 27.397 um PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Receptor Type 1 to assess selectivity of uHTS small molecule antagonists hits of the APJ receptor. (Class of assay: confirmatory) [Related pubchem assays: 2569, 2521 ] ChEMBL. No reference
IC50 (functional) = 27.4 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of tim10-1 yeast via a luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463190, AID463194, AID504542, AID504544] ChEMBL. No reference
Potency (functional) = 0.5623 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.7783 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No 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) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 10.3183 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 10.4179 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) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.0929 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) 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) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 79.4328 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) = 89.1251 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

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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