Detailed information for compound 1715215

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 412.934 | Formula: C16H13ClN2O3S3
  • H donors: 1 H acceptors: 4 LogP: 4.46 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(c1ccccc1)Sc1nc2c(s1)ccc(c2)Cl)NS(=O)(=O)C
  • InChi: 1S/C16H13ClN2O3S3/c1-25(21,22)19-15(20)14(10-5-3-2-4-6-10)24-16-18-12-9-11(17)7-8-13(12)23-16/h2-9,14H,1H3,(H,19,20)
  • InChiKey: NSPVFFZZDPHABN-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 peroxisome proliferator-activated receptor alpha Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR008946,Nuclear receptor, ligand-binding,domain-containing Get druggable targets OG5_137778 All targets in OG5_137778
Schistosoma mansoni nuclear hormone receptor superfamily protein-related Get druggable targets OG5_137778 All targets in OG5_137778
Schistosoma japonicum ko:K08701 nuclear receptor, subfamily 1, invertebrate, putative Get druggable targets OG5_137778 All targets in OG5_137778
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor peroxisome proliferator-activated receptor alpha 468 aa 397 aa 25.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis glycine receptor subunit alpha 1 0.003 0.0287 0.0853
Trypanosoma brucei heat shock protein, putative 0.0077 0.1437 1
Leishmania major quinonoid dihydropteridine reductase 0.0162 0.3549 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0287 0.0617
Schistosoma mansoni lipoxygenase 0.0117 0.2434 0.2434
Schistosoma mansoni rab6-interacting 0.002 0.0022 0.0022
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.003 0.0287 0.0853
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0031 0.0316 0.094
Trypanosoma cruzi heat shock protein 90, putative 0.0045 0.0659 0.1857
Leishmania major heat shock protein 83-1 0.0077 0.1437 0.4049
Trichomonas vaginalis heat shock protein, putative 0.0047 0.0703 0.1313
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.003 0.0287 0.0617
Loa Loa (eye worm) hypothetical protein 0.003 0.0287 0.0617
Brugia malayi Cation transporter family protein 0.003 0.0287 0.0617
Trichomonas vaginalis heat shock protein, putative 0.0077 0.1437 0.2684
Plasmodium vivax heat shock protein 90, putative 0.0031 0.0316 0.2201
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0061 0.105 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0077 0.1437 1
Trypanosoma cruzi heat shock protein 85, putative 0.0061 0.105 0.2959
Leishmania major quinonoid dihydropteridine reductase 0.0162 0.3549 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 0.0287 0.0287
Onchocerca volvulus 0.0099 0.1987 0.3684
Schistosoma mansoni endoplasmin 0.0077 0.1437 0.1437
Onchocerca volvulus 0.003 0.0271 0.0467
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0022 0.0066
Brugia malayi Cation transporter family protein 0.0099 0.1987 0.4274
Echinococcus granulosus heat shock protein 0.0077 0.1437 0.4272
Echinococcus granulosus glycine receptor subunit alpha 1 0.003 0.0287 0.0853
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.003 0.0287 0.0853
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.003 0.0287 0.0617
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 0.0287 0.0617
Echinococcus granulosus nAChR subunit 0.003 0.0287 0.0853
Brugia malayi hypothetical protein 0.002 0.0022 0.0048
Trypanosoma cruzi heat shock protein 85, putative 0.0077 0.1437 0.4049
Trichomonas vaginalis endoplasmin, putative 0.0047 0.0703 0.1313
Loa Loa (eye worm) hypothetical protein 0.003 0.0287 0.0617
Loa Loa (eye worm) hypothetical protein 0.003 0.0287 0.0617
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.003 0.0287 0.0617
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.003 0.0287 0.0617
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.003 0.0287 0.0853
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.003 0.0287 0.0617
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0022 0.0155
Onchocerca volvulus 0.003 0.0287 0.0496
Leishmania major heat shock protein 83-1 0.0077 0.1437 0.4049
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0117 0.2434 0.7237
Leishmania major heat shock protein 83-1 0.0077 0.1437 0.4049
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.0162 0.3549 1
Trichomonas vaginalis heat shock protein, putative 0.0061 0.105 0.1961
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0022 0.0066
Leishmania major heat shock protein 83-1 0.0077 0.1437 0.4049
Plasmodium falciparum endoplasmin, putative 0.0047 0.0703 0.4892
Onchocerca volvulus 0.003 0.0287 0.0496
Onchocerca volvulus 0.0099 0.1987 0.3684
Loa Loa (eye worm) dihydropteridine reductase-PC 0.0154 0.3363 0.7236
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.003 0.0287 0.0617
Loa Loa (eye worm) ACC-1 protein 0.003 0.0287 0.0617
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0031 0.0316 0.0551
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0271 0.0271
Echinococcus granulosus glycine receptor subunit beta 0.003 0.0287 0.0853
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0022 0.0066
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.003 0.0287 0.0287
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0287 0.0617
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0061 0.105 1
Leishmania major heat shock protein 83-1 0.0077 0.1437 0.4049
Toxoplasma gondii heat shock protein 90, putative 0.0077 0.1437 0.4272
Brugia malayi excitatory GABA receptor EXP-1A 0.003 0.0287 0.0617
Plasmodium falciparum heat shock protein 90, putative 0.0031 0.0316 0.2201
Trypanosoma brucei heat shock protein, putative 0.0077 0.1437 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.003 0.0287 0.0617
Leishmania major quinonoid dihydropteridine reductase 0.0162 0.3549 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0271 0.0806
Treponema pallidum heat shock protein 90 0.0061 0.105 1
Schistosoma mansoni nAChR subunit 0.003 0.0287 0.0287
Echinococcus multilocularis glycine receptor subunit alpha 1 0.003 0.0287 0.0853
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0287 0.0617
Loa Loa (eye worm) hypothetical protein 0.003 0.0287 0.0617
Loa Loa (eye worm) hypothetical protein 0.003 0.0287 0.0617
Onchocerca volvulus 0.0099 0.1987 0.3684
Brugia malayi Doublecortin family protein 0.002 0.0022 0.0048
Leishmania major heat shock protein 83-1 0.0077 0.1437 0.4049
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 0.0287 0.0617
Leishmania major heat shock protein 83-1 0.0077 0.1437 0.4049
Loa Loa (eye worm) hypothetical protein 0.0099 0.1987 0.4274
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.003 0.0287 0.0853
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.003 0.0287 0.0853
Onchocerca volvulus 0.0235 0.5354 1
Trypanosoma cruzi heat shock protein 85, putative 0.0077 0.1437 0.4049
Trypanosoma brucei heat shock protein, putative 0.0077 0.1437 1
Trichomonas vaginalis heat shock protein, putative 0.0061 0.105 0.1961
Leishmania major heat shock protein 83-1 0.0077 0.1437 0.4049
Loa Loa (eye worm) hypothetical protein 0.003 0.0287 0.0617
Brugia malayi Endoplasmin precursor 0.0077 0.1437 0.3091
Loa Loa (eye worm) hypothetical protein 0.002 0.0022 0.0048
Loa Loa (eye worm) hypothetical protein 0.003 0.0287 0.0617
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0022 0.0066
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.003 0.0287 0.0617
Loa Loa (eye worm) hypothetical protein 0.003 0.0287 0.0617
Loa Loa (eye worm) hypothetical protein 0.003 0.0287 0.0617
Trypanosoma brucei heat shock protein 84, putative 0.0031 0.0316 0.2201
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.002 0.0021 0.0203
Trypanosoma brucei Heat shock protein 83, putative 0.0077 0.1437 1
Trypanosoma brucei heat shock protein, putative 0.0077 0.1437 1
Giardia lamblia Grp94/Hsp90 0.0061 0.105 0.7309
Echinococcus multilocularis nAChR subunit 0.003 0.0287 0.0853
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0117 0.2434 0.7237
Trypanosoma brucei heat shock protein, putative 0.0077 0.1437 1
Plasmodium falciparum heat shock protein 90, putative 0.0031 0.0316 0.2201
Loa Loa (eye worm) LGC-31 protein 0.003 0.0287 0.0617
Plasmodium vivax SET domain protein, putative 0.003 0.0271 0.1887
Onchocerca volvulus 0.003 0.0287 0.0496
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0099 0.1987 0.1987
Leishmania major quinonoid dihydropteridine reductase 0.0162 0.3549 1
Schistosoma mansoni hypothetical protein 0.002 0.0022 0.0022
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0244 0.0726
Trypanosoma cruzi heat shock protein 85, putative 0.0077 0.1437 0.4049
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0271 0.0806
Loa Loa (eye worm) hypothetical protein 0.003 0.0287 0.0617
Brugia malayi Hsp90 protein 0.0031 0.0316 0.068
Loa Loa (eye worm) hypothetical protein 0.0099 0.1987 0.4274
Leishmania major quinonoid dihydropteridine reductase 0.0162 0.3549 1
Leishmania major heat shock protein 83-1 0.0077 0.1437 0.4049
Brugia malayi Pre-SET motif family protein 0.003 0.0271 0.0583
Giardia lamblia Heat shock protein HSP 90-alpha 0.0061 0.105 0.7309
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.003 0.0287 0.0617
Echinococcus multilocularis glycine receptor subunit beta 0.003 0.0287 0.0853
Leishmania major quinonoid dihydropteridine reductase 0.0162 0.3549 1
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0022 0.0066
Entamoeba histolytica heat shock protein 90, putative 0.0077 0.1437 1
Leishmania major heat shock protein 83-1 0.0077 0.1437 0.4049
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.0085 0.1641 0.3531
Echinococcus granulosus glycine receptor subunit beta 0.003 0.0287 0.0853
Loa Loa (eye worm) hypothetical protein 0.003 0.0287 0.0617
Loa Loa (eye worm) endoplasmin 0.0077 0.1437 0.3091
Mycobacterium ulcerans heat shock protein 90 0.0061 0.105 1
Trichomonas vaginalis heat shock protein, putative 0.0061 0.105 0.1961
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0271 0.0806
Echinococcus granulosus endoplasmin 0.0061 0.105 0.3122
Leishmania major quinonoid dihydropteridine reductase 0.0162 0.3549 1
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0022 0.0155
Schistosoma mansoni nAChR subunit 0.003 0.0287 0.0287
Schistosoma mansoni heat shock protein 0.0077 0.1437 0.1437
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0316 0.0591
Plasmodium vivax heat shock protein 86, putative 0.0077 0.1437 1
Echinococcus multilocularis heat shock protein 0.0077 0.1437 0.4272
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.003 0.0287 0.0853
Loa Loa (eye worm) hypothetical protein 0.002 0.0022 0.0048
Echinococcus multilocularis heat shock protein 90 0.0061 0.105 0.3122
Leishmania major heat shock protein 83-1 0.0077 0.1437 0.4049
Trypanosoma cruzi heat shock protein 90, putative 0.0077 0.1437 0.4049
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.003 0.0287 0.0617
Loa Loa (eye worm) hypothetical protein 0.003 0.0287 0.0617
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0031 0.0316 0.2201
Brugia malayi heat shock protein 90 0.0077 0.1437 0.3091
Schistosoma mansoni nAChR subunit 0.003 0.0287 0.0287
Toxoplasma gondii 6,7-dihydropteridine reductase 0.0154 0.3363 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.4648 1
Echinococcus granulosus heat shock protein 90 0.0077 0.1437 0.4272
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.003 0.0287 0.0853
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0271 0.0806
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0287 0.0617
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0271 0.0271
Trypanosoma brucei heat shock protein, putative 0.0077 0.1437 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 0.0287 0.0287
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0099 0.1987 0.1987
Plasmodium vivax endoplasmin, putative 0.0077 0.1437 1
Leishmania major heat shock protein 83-1 0.0077 0.1437 0.4049
Entamoeba histolytica heat shock protein 90, putative 0.0077 0.1437 1
Trypanosoma cruzi heat shock protein 90, putative 0.0061 0.105 0.2959
Schistosoma mansoni endoplasmin 0.0077 0.1437 0.1437
Trypanosoma cruzi Heat shock protein 83, putative 0.0077 0.1437 0.4049
Trypanosoma brucei heat shock protein, putative 0.0077 0.1437 1
Schistosoma mansoni rab6-interacting 0.002 0.0022 0.0022
Echinococcus granulosus nmda type glutamate receptor 0.0027 0.021 0.0624
Schistosoma mansoni heat shock protein 0.0077 0.1437 0.1437
Trypanosoma brucei heat shock protein, putative 0.0077 0.1437 1
Schistosoma mansoni polycystin 1-related 0.002 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.003 0.0287 0.0617
Loa Loa (eye worm) hypothetical protein 0.003 0.0287 0.0617
Loa Loa (eye worm) hypothetical protein 0.003 0.0287 0.0617
Chlamydia trachomatis glutamine binding protein 0.002 0.0021 0.5
Leishmania major heat shock protein 83-1 0.0077 0.1437 0.4049
Schistosoma mansoni nAChR subunit 0.003 0.0287 0.0287
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.003 0.0287 0.0617
Onchocerca volvulus Putative nachr subunit 0.003 0.0287 0.0496
Brugia malayi Pre-SET motif family protein 0.0206 0.4648 1
Toxoplasma gondii heat shock protein HSP90 0.0077 0.1437 0.4272
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 0.0287 0.0617
Echinococcus multilocularis glycine receptor subunit beta 0.003 0.0287 0.0853
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.003 0.0287 0.0617
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 0.0287 0.0287
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0287 0.0617
Echinococcus granulosus heat shock protein 90 0.0061 0.105 0.3122
Echinococcus granulosus RUN 0.002 0.0022 0.0066
Leishmania major heat shock protein 83-1 0.0077 0.1437 0.4049
Echinococcus multilocularis nmda type glutamate receptor 0.0027 0.021 0.0624
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.003 0.0287 0.0853
Echinococcus multilocularis NAD(P) binding domain 0.0154 0.3363 1
Plasmodium vivax heat shock protein, putative 0.0031 0.0316 0.2201
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.003 0.0287 0.0617
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.003 0.0287 0.0853
Echinococcus multilocularis heat shock protein 90 0.0077 0.1437 0.4272
Echinococcus multilocularis RUN 0.002 0.0022 0.0066
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.003 0.0287 0.0853
Leishmania major heat shock protein 83-1 0.0077 0.1437 0.4049
Loa Loa (eye worm) heat shock protein 90 0.0077 0.1437 0.3091
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.002 0.0021 0.5
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0061 0.105 0.3122
Loa Loa (eye worm) hypothetical protein 0.003 0.0287 0.0617
Toxoplasma gondii heat shock protein 75, putative 0.0031 0.0316 0.094
Schistosoma mansoni lipoxygenase 0.0082 0.1563 0.1563
Schistosoma mansoni nAChR subunit 0.003 0.0287 0.0287
Trypanosoma cruzi heat shock protein, putative 0.0031 0.0316 0.0891
Plasmodium falciparum heat shock protein 90 0.0077 0.1437 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0271 0.0583
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0287 0.0617
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0022 0.0066
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.003 0.0287 0.0853
Trichomonas vaginalis set domain proteins, putative 0.0235 0.5354 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.003 0.0287 0.0853
Trypanosoma brucei heat shock protein 90, putative 0.0077 0.1437 1
Schistosoma mansoni nAChR subunit 0.003 0.0287 0.0287
Leishmania major heat shock protein 83-1 0.0077 0.1437 0.4049
Loa Loa (eye worm) ACC-1 protein 0.003 0.0287 0.0617
Toxoplasma gondii Hsp90 domain-containing protein 0.0031 0.0316 0.094
Brugia malayi hypothetical protein 0.002 0.0022 0.0048
Loa Loa (eye worm) doublecortin family protein 0.002 0.0022 0.0048
Schistosoma mansoni nAChR subunit 0.003 0.0287 0.0287
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.002 0.0021 0.0203
Echinococcus multilocularis endoplasmin 0.0061 0.105 0.3122
Leishmania major heat shock protein 83-1 0.0077 0.1437 0.4049
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.002 0.0021 0.0203
Brugia malayi Cation transporter family protein 0.003 0.0287 0.0617
Echinococcus granulosus glycine receptor subunit alpha 1 0.003 0.0287 0.0853
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.003 0.0287 0.0853
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0031 0.0316 0.094
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.003 0.0287 0.0853
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.002 0.0021 0.0203
Trypanosoma brucei heat shock protein 90, putative 0.0077 0.1437 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0027 0.021 0.0624
Echinococcus multilocularis glycine receptor subunit alpha 1 0.003 0.0287 0.0853
Leishmania major heat shock protein, putative 0.0031 0.0316 0.0891
Brugia malayi dihydropteridine reductase-like 0.0154 0.3363 0.7236
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.003 0.0287 0.0853
Schistosoma mansoni dihydropteridine reductase 0.0154 0.3363 0.3363
Schistosoma mansoni loxhd1 0.002 0.0022 0.0022
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0271 0.0271
Echinococcus granulosus glycine receptor subunit alpha 1 0.003 0.0287 0.0853
Schistosoma mansoni heat shock protein 0.0031 0.0316 0.0316
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0287 0.0617
Echinococcus granulosus NADP binding domain 0.0154 0.3363 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0061 0.105 0.5
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0061 0.105 0.2959
Loa Loa (eye worm) heat shock protein 75 0.0031 0.0316 0.068

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 95.3 % Binding affinity to PPARalpha LBD at 100 uM after 2 hrs by TR-FRET analysis ChEMBL. 23137448
IC50 (functional) = 0.9 uM Antagonist activity at PPARalpha expressed in HEK293 cells co-expressing GAL4 assessed as inhibition of GW7647-induced transactivation activity after 16 to 18 hrs by luciferase reporter gene assay ChEMBL. 23137448
IC50 (binding) = 0.95 uM Binding affinity to PPARalpha LBD after 2 hrs by TR-FRET analysis ChEMBL. 23137448
Inhibition (functional) Antagonist activity at PPARgamma expressed in HEK293A cells co-expressing GAL4 after 16 to 18 hrs by luciferase reporter gene assay ChEMBL. 23137448

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

1 literature reference was collected for this gene.

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