Detailed information for compound 1494345

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 734.615 | Formula: C39H26O15
  • H donors: 8 H acceptors: 11 LogP: 4.02 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 4
  • SMILES: Oc1cc(=O)oc(c1)[C@@H]1[C@H](Oc2c1c(=O)oc(c2)/C=C/c1cc(O)c(cc1c1c(O)cc(oc1=O)/C=C/c1ccc(c(c1)O)O)O)c1ccc(c(c1)O)O
  • InChi: 1S/C39H26O15/c40-20-12-31(53-33(48)13-20)35-36-32(54-37(35)19-4-8-25(42)27(44)11-19)15-22(52-39(36)50)6-3-18-10-28(45)29(46)16-23(18)34-30(47)14-21(51-38(34)49)5-1-17-2-7-24(41)26(43)9-17/h1-16,35,37,40-47H/b5-1+,6-3+/t35-,37+/m0/s1
  • InChiKey: KAEWYNFUJFCGQA-UPSVAIHWSA-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
Staphylococcus aureus Enoyl-ACP reductase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum enoyl-acyl carrier reductase Get druggable targets OG5_130466 All targets in OG5_130466
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase Get druggable targets OG5_130466 All targets in OG5_130466
Toxoplasma gondii enoyl-acyl carrier reductase ENR Get druggable targets OG5_130466 All targets in OG5_130466
Trichomonas vaginalis hypothetical protein Get druggable targets OG5_130466 All targets in OG5_130466
Plasmodium knowlesi enoyl-acyl carrier reductase, putative Get druggable targets OG5_130466 All targets in OG5_130466
Neospora caninum enoyl-acyl carrier reductase, putative Get druggable targets OG5_130466 All targets in OG5_130466
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase Get druggable targets OG5_130466 All targets in OG5_130466
Plasmodium berghei enoyl-acyl carrier reductase Get druggable targets OG5_130466 All targets in OG5_130466
Plasmodium yoelii enoyl-acyl carrier reductase Get druggable targets OG5_130466 All targets in OG5_130466
Plasmodium vivax enoyl-acyl carrier protein reductase Get druggable targets OG5_130466 All targets in OG5_130466
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) Get druggable targets OG5_130466 All targets in OG5_130466
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) Get druggable targets OG5_130466 All targets in OG5_130466
Chlamydia trachomatis enoyl-acyl-carrier protein reductase Get druggable targets OG5_130466 All targets in OG5_130466
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans similar to Sou1p but not required for sorbose utilization Enoyl-ACP reductase   243 aa 240 aa 23.8 %
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Enoyl-ACP reductase   243 aa 255 aa 25.1 %
Plasmodium berghei 3-oxoacyl-[acyl-carrier-protein] reductase, putative Enoyl-ACP reductase   243 aa 248 aa 24.2 %
Schistosoma japonicum ko:K00065 2-deoxy-D-gluconate 3-dehydrogenase [EC1.1.1.125], putative Enoyl-ACP reductase   243 aa 244 aa 24.2 %
Mycobacterium tuberculosis Possible oxidoreductase Enoyl-ACP reductase   243 aa 232 aa 25.9 %
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme Enoyl-ACP reductase   243 aa 242 aa 24.0 %
Drosophila melanogaster CG31549 gene product from transcript CG31549-RA Enoyl-ACP reductase   243 aa 231 aa 28.1 %
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG4 (3-ketoacyl-acyl carrier protein reductase) Enoyl-ACP reductase   243 aa 249 aa 23.3 %
Dictyostelium discoideum hypothetical protein Enoyl-ACP reductase   243 aa 198 aa 23.7 %
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Enoyl-ACP reductase   243 aa 247 aa 27.1 %
Trypanosoma congolense short chain dehydrogenase, putative Enoyl-ACP reductase   243 aa 250 aa 19.6 %
Trypanosoma brucei beta-D-hydroxybutyrate dehydrogenase Enoyl-ACP reductase   243 aa 250 aa 22.0 %
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Enoyl-ACP reductase   243 aa 205 aa 21.0 %
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Enoyl-ACP reductase   243 aa 252 aa 23.4 %
Mycobacterium ulcerans oxidoreductase Enoyl-ACP reductase   243 aa 242 aa 28.9 %
Candida albicans similar to peroxisomal 2,4-dienoyl-CoA reductase Enoyl-ACP reductase   243 aa 238 aa 27.3 %
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative Enoyl-ACP reductase   243 aa 254 aa 21.3 %
Dictyostelium discoideum short-chain dehydrogenase/reductase family protein Enoyl-ACP reductase   243 aa 212 aa 23.1 %
Drosophila melanogaster CG3603 gene product from transcript CG3603-RB Enoyl-ACP reductase   243 aa 246 aa 24.0 %
Candida albicans sorbose utilization/short-chain alcohol dehydrogenase Enoyl-ACP reductase   243 aa 241 aa 27.0 %
Mycobacterium tuberculosis Probable oxidoreductase Enoyl-ACP reductase   243 aa 231 aa 26.0 %
Mycobacterium ulcerans short chain dehydrogenase Enoyl-ACP reductase   243 aa 248 aa 25.4 %
Trypanosoma brucei gambiense NAD or NADP dependent oxidoreductase,putative Enoyl-ACP reductase   243 aa 255 aa 23.1 %
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Enoyl-ACP reductase   243 aa 217 aa 26.3 %
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Enoyl-ACP reductase   243 aa 211 aa 22.7 %
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Enoyl-ACP reductase   243 aa 241 aa 26.1 %
Candida albicans SPS19-like orf, peroxisomal 2,4-dienoyl-CoA reductase Enoyl-ACP reductase   243 aa 235 aa 25.5 %
Toxoplasma gondii short chain dehydrogenase family protein, putative Enoyl-ACP reductase   243 aa 247 aa 23.1 %
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative Enoyl-ACP reductase   243 aa 254 aa 20.9 %
Schistosoma japonicum ko:K00100 retinol dehydrogenase 14 (all-trans/9-cis/11-cis) [EC:1.1.1.-], putative Enoyl-ACP reductase   243 aa 206 aa 21.8 %
Dictyostelium discoideum glucose/ribitol dehydrogenase family protein Enoyl-ACP reductase   243 aa 208 aa 23.6 %
Candida albicans short-chain alcohol dehydrogenase superfamily Enoyl-ACP reductase   243 aa 242 aa 26.0 %
Mycobacterium ulcerans carveol-like dehydrogenase Enoyl-ACP reductase   243 aa 231 aa 22.5 %
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] reductase FabG1 (3-ketoacyl-acyl carrier protein reductase) (mycolic acid biosynthesis a protei Enoyl-ACP reductase   243 aa 244 aa 21.7 %
Onchocerca volvulus Enoyl-ACP reductase   243 aa 248 aa 26.6 %
Mycobacterium ulcerans 3-oxoacyl-ACP reductase Enoyl-ACP reductase   243 aa 241 aa 22.0 %
Neospora caninum hypothetical protein Enoyl-ACP reductase   243 aa 198 aa 26.8 %
Candida albicans sorbose utilization/short-chain alcohol dehydrogenase Enoyl-ACP reductase   243 aa 241 aa 27.0 %
Schistosoma mansoni short chain dehydrogenase Enoyl-ACP reductase   243 aa 204 aa 21.1 %
Drosophila melanogaster CG31548 gene product from transcript CG31548-RA Enoyl-ACP reductase   243 aa 229 aa 21.8 %
Chlamydia trachomatis oxoacy-ACP reductase Enoyl-ACP reductase   243 aa 237 aa 25.7 %
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Enoyl-ACP reductase   243 aa 206 aa 25.7 %
Mycobacterium leprae PROBABLE 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG4 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) Enoyl-ACP reductase   243 aa 247 aa 24.3 %
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Enoyl-ACP reductase   243 aa 208 aa 26.0 %
Candida albicans similar to bacterial reductase Enoyl-ACP reductase   243 aa 242 aa 26.0 %
Candida albicans similar to SOU1 but not required for sorbose utilization Enoyl-ACP reductase   243 aa 240 aa 23.8 %
Mycobacterium ulcerans short chain dehydrogenase Enoyl-ACP reductase   243 aa 232 aa 27.2 %
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Enoyl-ACP reductase   243 aa 201 aa 25.4 %
Candida albicans SPS19-like orf, peroxisomal 2,4-dienoyl-CoA reductase Enoyl-ACP reductase   243 aa 235 aa 25.5 %
Mycobacterium ulcerans short chain dehydrogenase Enoyl-ACP reductase   243 aa 247 aa 24.7 %
Schistosoma mansoni 3-oxoacyl-[ACP] reductase Enoyl-ACP reductase   243 aa 251 aa 24.7 %
Mycobacterium ulcerans short chain dehydrogenase Enoyl-ACP reductase   243 aa 222 aa 23.0 %
Mycobacterium ulcerans short chain dehydrogenase Enoyl-ACP reductase   243 aa 245 aa 27.3 %
Dictyostelium discoideum short-chain dehydrogenase/reductase family protein Enoyl-ACP reductase   243 aa 236 aa 23.7 %
Trypanosoma brucei pteridine reductase 1 Enoyl-ACP reductase   243 aa 269 aa 24.5 %
Loa Loa (eye worm) dehydrogenase Enoyl-ACP reductase   243 aa 238 aa 26.9 %
Mycobacterium ulcerans 3-ketoacyl-ACP reductase Enoyl-ACP reductase   243 aa 245 aa 27.3 %
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein Enoyl-ACP reductase   243 aa 244 aa 26.2 %
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Enoyl-ACP reductase   243 aa 235 aa 23.4 %
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Enoyl-ACP reductase   243 aa 234 aa 25.6 %
Plasmodium yoelii 3-oxoacyl-acyl-carrier protein reductase precursor Enoyl-ACP reductase   243 aa 244 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.1025 0.1025
Loa Loa (eye worm) acetyltransferase 0.014 0.5946 0.6809
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0223 0.9755 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.3003 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.2209 0.253
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.3003 0.29
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0245 0.0281
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.084 0.1457
Trypanosoma brucei hypothetical protein, conserved 0.0206 0.8936 1
Brugia malayi Pre-SET motif family protein 0.0029 0.0871 0.0997
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.3003 0.29
Toxoplasma gondii hypothetical protein 0.0026 0.0742 0.0523
Entamoeba histolytica pyruvate kinase, putative 0.0022 0.058 0.3247
Giardia lamblia PHD finger protein 15 0.0028 0.084 0.5482
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0742 0.0523
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.1277 1
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0026 0.0742 0.0523
Echinococcus granulosus peregrin 0.0032 0.0997 0.1728
Brugia malayi jmjC domain containing protein 0.0034 0.111 0.1272
Mycobacterium leprae Probable pyruvate kinase PykA 0.0032 0.1025 0.082
Loa Loa (eye worm) hypothetical protein 0.0015 0.0245 0.0281
Brugia malayi Pre-SET motif family protein 0.0201 0.8732 1
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0023 0.0026
Schistosoma mansoni jumonji domain containing protein 0.0073 0.29 0.4877
Trypanosoma cruzi pyruvate kinase 2, putative 0.0032 0.1025 0.0898
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0015 0.0245 0.0425
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0023 0.0039
Leishmania major pyruvate kinase 0.0032 0.1025 0.0898
Echinococcus multilocularis pyruvate kinase 0.0025 0.0715 0.1203
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0223 0.9755 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0871 0.1464
Brugia malayi Bromodomain containing protein 0.0032 0.0997 0.1141
Echinococcus granulosus jumonji domain containing protein 0.0039 0.1343 0.233
Plasmodium vivax SET domain protein, putative 0.0029 0.0871 0.0658
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0015 0.0245 0.0412
Plasmodium falciparum pyruvate kinase 0.0032 0.1025 0.082
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.3003 0.505
Trypanosoma cruzi hypothetical protein, conserved 0.0206 0.8936 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0015 0.0245 0.0281
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.3765 0.6332
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.3003 0.29
Schistosoma mansoni pyruvate kinase 0.0032 0.1025 0.1724
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0223 0.9755 1
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.1025 0.1025
Mycobacterium ulcerans hypothetical protein 0.0024 0.0635 0.041
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.1434 0.0853
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.1434 0.125
Trypanosoma cruzi hypothetical protein, conserved 0.0206 0.8936 1
Toxoplasma gondii pyruvate kinase PyKII 0.0017 0.0309 0.0068
Onchocerca volvulus 0.0015 0.0245 0.0245
Loa Loa (eye worm) pyruvate kinase 0.0032 0.1025 0.1174
Echinococcus multilocularis pyruvate kinase 0.0032 0.1025 0.1724
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0871 0.151
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.3003 0.29
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0015 0.0245 0.0412
Plasmodium falciparum pyruvate kinase 2 0.0017 0.0309 0.0068
Brugia malayi acetyltransferase, GNAT family protein 0.014 0.5946 0.6809
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.084 0.0962
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0871 0.1464
Onchocerca volvulus 0.0015 0.0245 0.0245
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.3003 0.29
Mycobacterium tuberculosis Conserved protein 0.0024 0.0635 0.041
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.3003 0.29
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.0635 0.041
Brugia malayi PHD-finger family protein 0.0028 0.084 0.0962
Loa Loa (eye worm) hypothetical protein 0.0048 0.1758 0.2014
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0871 0.0658
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0635 0.0448
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.084 0.1413
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.014 0.5946 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.3003 0.3439
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.084 0.1413
Trichomonas vaginalis set domain proteins, putative 0.0229 1 1
Plasmodium falciparum phd finger protein, putative 0.0028 0.084 0.0625
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0871 0.1464
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.3003 0.29
Trichomonas vaginalis pyruvate kinase, putative 0.0032 0.1025 0.0417
Loa Loa (eye worm) pyruvate kinase 0.0032 0.1025 0.1174
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.3003 0.29
Onchocerca volvulus Alhambra homolog 0.0028 0.084 0.084
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.084 0.0625
Echinococcus granulosus pyruvate kinase 0.0017 0.0309 0.0536
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0871 0.1464
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.111 0.1868
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.111 0.1868
Leishmania major pyruvate kinase 0.0032 0.1025 0.0898
Echinococcus multilocularis citrate lyase subunit beta protein 0.0024 0.0635 0.1067
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0635 0.0448
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0635 0.0448
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.3003 0.505
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.3765 0.6529
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0245 0.0281
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.1815 0.3052
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.084 0.0625
Echinococcus granulosus pyruvate kinase 0.0017 0.0309 0.0536
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.1434 0.125
Leishmania major hypothetical protein, conserved 0.0206 0.8936 1
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0024 0.0635 0.041
Echinococcus multilocularis pyruvate kinase 0.0017 0.0309 0.052
Brugia malayi jmjC domain containing protein 0.0092 0.3765 0.4312
Loa Loa (eye worm) hypothetical protein 0.0032 0.1025 0.1174
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0822 0.1426
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0871 0.1464
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.1025 0.1025
Trichomonas vaginalis hypothetical protein 0.0223 0.9755 0.9738
Brugia malayi Probable ClpP-like protease 0.0076 0.3003 0.3439
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.111 0.1868
Loa Loa (eye worm) pyruvate kinase 0.0032 0.1025 0.1174
Echinococcus granulosus histone acetyltransferase KAT2B 0.0136 0.5767 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0223 0.9755 1
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.1343 0.2259
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.1434 0.0853
Schistosoma mansoni pyruvate kinase 0.0032 0.1025 0.1724
Plasmodium vivax pyruvate kinase 2, putative 0.0017 0.0309 0.0068
Schistosoma mansoni dihydropteridine reductase 0.0015 0.0245 0.0412
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.1277 0.1085
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0223 0.9755 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.0032 0.1025 0.1174
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.8732 1
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.0635 0.041
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.1815 0.1651
Echinococcus multilocularis pyruvate kinase 0.0017 0.0309 0.052
Trypanosoma cruzi pyruvate kinase 2, putative 0.0032 0.1025 0.0898
Mycobacterium ulcerans hypothetical protein 0.0024 0.0635 0.041
Toxoplasma gondii pyruvate kinase PyK1 0.0032 0.1025 0.082
Chlamydia trachomatis pyruvate kinase 0.0032 0.1025 0.082
Loa Loa (eye worm) retinol dehydrogenase 12 0.0015 0.0245 0.0281
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.014 0.5946 1
Loa Loa (eye worm) pyruvate kinase-PB 0.0022 0.058 0.0665
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0024 0.0635 0.041
Echinococcus granulosus pyruvate kinase 0.0032 0.1025 0.1778
Onchocerca volvulus 0.0029 0.0871 0.0871
Loa Loa (eye worm) hypothetical protein 0.0028 0.084 0.0962
Loa Loa (eye worm) hypothetical protein 0.0029 0.0871 0.0997
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.111 0.1926
Mycobacterium ulcerans pyruvate kinase 0.0032 0.1025 0.082
Loa Loa (eye worm) oxidoreductase 0.0015 0.0245 0.0281
Schistosoma mansoni hypothetical protein 0.0028 0.084 0.1413
Brugia malayi Pyruvate kinase, muscle isozyme 0.0032 0.1025 0.1174
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.3003 0.5207
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.3003 0.29
Echinococcus granulosus citrate lyase subunit beta protein 0.0024 0.0635 0.1101
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0742 0.0523
Giardia lamblia Pyruvate kinase 0.0032 0.1025 0.7397
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.1434 0.125
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.1277 1
Schistosoma mansoni pyruvate kinase 0.0017 0.0309 0.052
Echinococcus multilocularis pyruvate kinase 0.0032 0.1025 0.1724
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0871 0.1464
Echinococcus granulosus pyruvate kinase 0.0032 0.1025 0.1778
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.1815 0.1651
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.111 0.1272
Trypanosoma brucei pyruvate kinase 1 0.0032 0.1025 0.0898
Trichomonas vaginalis pyruvate kinase, putative 0.0032 0.1025 0.0417
Echinococcus multilocularis peregrin 0.0032 0.0997 0.1676
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.1815 0.1651
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0032 0.1025 0.082
Plasmodium falciparum enoyl-acyl carrier reductase 0.0223 0.9755 1
Echinococcus granulosus peptidase Clp S14 family 0.005 0.1815 0.3147
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0223 0.9755 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0032 0.1025 0.0898
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.1434 0.2487
Plasmodium vivax pyruvate kinase, putative 0.0032 0.1025 0.082
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0223 0.9755 1
Echinococcus granulosus pyruvate kinase 0.0017 0.0309 0.0536
Plasmodium vivax hypothetical protein, conserved 0.0028 0.084 0.0625
Echinococcus multilocularis pyruvate kinase 0.0017 0.0309 0.052
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.3003 0.29
Loa Loa (eye worm) hypothetical protein 0.0022 0.058 0.0665

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6 uM Inhibition of Staphylococcus aureus enoyl-ACP reductase assessed as increase of NADPH level ChEMBL. 21316961
Inhibition (binding) Inhibition of Staphylococcus aureus enoyl-ACP reductase assessed as increase of NADPH level ChEMBL. 21316961

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.