Detailed information for compound 510413

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 251.666 | Formula: C12H10ClNO3
  • H donors: 1 H acceptors: 1 LogP: 2.75 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(=O)[nH]1)Oc1ccccc1Cl
  • InChi: 1S/C12H10ClNO3/c1-16-11-7-6-10(12(15)14-11)17-9-5-3-2-4-8(9)13/h2-7H,1H3,(H,14,15)
  • InChiKey: LUNGOIBMOVRHQM-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
Bacillus subtilis (strain 168) Enoyl-[acyl-carrier-protein] reductase [NADH] Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Chlamydia trachomatis enoyl-acyl-carrier protein 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
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 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
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
Toxoplasma gondii enoyl-acyl carrier reductase ENR Get druggable targets OG5_130466 All targets in OG5_130466
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum hypothetical protein Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 273 aa 25.3 %
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 267 aa 21.7 %
Candida albicans NAD-dependent D-arabinitol dehydrogenase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 229 aa 24.5 %
Schistosoma mansoni short chain dehydrogenase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 262 aa 24.8 %
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 271 aa 24.7 %
Candida albicans sorbose utilization/short-chain alcohol dehydrogenase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 260 aa 25.0 %
Mycobacterium ulcerans 3-ketoacyl-ACP reductase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 260 aa 24.6 %
Mycobacterium ulcerans short chain dehydrogenase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 256 aa 24.6 %
Mycobacterium ulcerans short chain dehydrogenase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 248 aa 22.2 %
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 271 aa 25.1 %
Candida albicans similar to bacterial reductase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 265 aa 26.0 %
Schistosoma japonicum ko:K00120 Dehydrogenase/reductase (SDR family) member 1 [EC:1.1.-.-], putative Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 211 aa 28.9 %
Mycobacterium tuberculosis Probable oxidoreductase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 258 aa 24.8 %
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 237 aa 27.0 %
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 210 aa 20.0 %
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 259 aa 26.6 %
Mycobacterium tuberculosis Possible oxidoreductase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 267 aa 25.5 %
Dictyostelium discoideum hypothetical protein Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 281 aa 20.3 %
Mycobacterium ulcerans short chain dehydrogenase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 260 aa 26.2 %
Onchocerca volvulus Farnesyl pyrophosphate synthase homolog Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 251 aa 26.7 %
Mycobacterium ulcerans short chain dehydrogenase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 243 aa 25.9 %
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 261 aa 26.8 %
Mycobacterium tuberculosis Probable oxidoreductase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 263 aa 27.4 %
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 260 aa 26.5 %
Brugia malayi dehydrogenases, short chain protein 9 Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 251 aa 25.9 %
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 273 aa 21.6 %
Loa Loa (eye worm) hypothetical protein Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 209 aa 25.8 %
Toxoplasma gondii short chain dehydrogenase family protein, putative Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 249 aa 24.1 %
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 269 aa 24.5 %
Candida albicans similar to SOU1 but not required for sorbose utilization Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 262 aa 26.3 %
Dictyostelium discoideum glucose/ribitol dehydrogenase family protein Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 207 aa 19.3 %
Candida albicans short-chain alcohol dehydrogenase superfamily Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 265 aa 26.0 %
Mycobacterium ulcerans oxidoreductase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 260 aa 27.3 %
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 273 aa 21.6 %
Mycobacterium ulcerans short chain dehydrogenase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 257 aa 29.6 %
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 273 aa 23.1 %
Mycobacterium ulcerans short chain dehydrogenase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 238 aa 24.4 %
Candida albicans similar to Sou1p but not required for sorbose utilization Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 262 aa 26.3 %
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 273 aa 22.0 %
Candida albicans sorbose utilization/short-chain alcohol dehydrogenase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 260 aa 25.0 %
Mycobacterium ulcerans short chain dehydrogenase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 259 aa 28.6 %
Trypanosoma congolense pteridine reductase 1 Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 281 aa 23.8 %
Dictyostelium discoideum hypothetical protein Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 268 aa 22.8 %
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 262 aa 24.8 %
Trypanosoma brucei pteridine reductase 1 Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 282 aa 24.8 %
Dictyostelium discoideum hypothetical protein Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 213 aa 25.8 %
Loa Loa (eye worm) oxidoreductase Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 264 aa 22.0 %
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative Enoyl-[acyl-carrier-protein] reductase [NADH]   258 aa 283 aa 24.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans thymidylate synthase 0.0628 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0148 0.1529 0.1529
Schistosoma mansoni tubulin subunit beta 0.0148 0.1529 0.1529
Brugia malayi beta-tubulin, identical 0.0148 0.1529 0.1489
Echinococcus granulosus Tubulin beta 2C chain 0.0148 0.1529 0.1529
Echinococcus granulosus Tubulin alpha 1 chain 0.0148 0.1529 0.1529
Giardia lamblia Alpha-tubulin 0.0148 0.1529 1
Trypanosoma brucei alpha tubulin 0.0148 0.1529 0.1489
Trypanosoma cruzi epsilon tubulin, putative 0.0148 0.1529 0.1489
Schistosoma mansoni tubulin subunit beta 0.0148 0.1529 0.1529
Echinococcus granulosus thymidylate synthase 0.0628 1 1
Trichomonas vaginalis tubulin, putative 0.0148 0.1529 0.358
Loa Loa (eye worm) alpha-tubulin 0.0148 0.1529 0.1489
Trichomonas vaginalis tubulin gamma chain, putative 0.0148 0.1529 0.358
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0223 0.2857 1
Brugia malayi tubulin alpha chain - mouse 0.0148 0.1529 0.1489
Echinococcus multilocularis Tubulin alpha 1 chain 0.0148 0.1529 0.1529
Echinococcus multilocularis tubulin alpha 0.0148 0.1529 0.1529
Toxoplasma gondii beta-1 tubulin, putative 0.0148 0.1529 0.1529
Echinococcus granulosus beta tubulin 0.0148 0.1529 0.1529
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0084 0.0392 0.0833
Trichomonas vaginalis tubulin alpha chain, putative 0.0084 0.0392 0.0833
Trypanosoma brucei alpha tubulin 0.0148 0.1529 0.1489
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0223 0.2857 0.2857
Schistosoma mansoni tubulin subunit beta 0.0064 0.0048 0.0048
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0223 0.2857 0.2857
Leishmania major beta tubulin 0.0148 0.1529 0.1529
Loa Loa (eye worm) tubulin beta-1 chain 0.0148 0.1529 0.1489
Echinococcus multilocularis Tubulin beta 2C chain 0.0148 0.1529 0.1529
Leishmania major beta tubulin 0.0148 0.1529 0.1529
Brugia malayi tubulin alpha-2 chain 0.0148 0.1529 0.1489
Trichomonas vaginalis conserved hypothetical protein 0.0299 0.4186 1
Schistosoma mansoni tubulin subunit delta 0.0064 0.0048 0.0048
Trypanosoma cruzi tubulin gamma chain 0.0148 0.1529 0.1489
Echinococcus multilocularis Tubulin beta 2C chain 0.0148 0.1529 0.1529
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0299 0.4186 0.4158
Plasmodium vivax tubulin beta chain, putative 0.0148 0.1529 0.1489
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0064 0.0048 0.0048
Brugia malayi alpha-tubulin 0.0148 0.1529 0.1489
Leishmania major beta tubulin 0.0148 0.1529 0.1529
Schistosoma mansoni tubulin subunit beta 0.0148 0.1529 0.1529
Leishmania major beta tubulin 0.0148 0.1529 0.1529
Echinococcus granulosus tubulin gamma 1 chain 0.0148 0.1529 0.1529
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0148 0.1529 0.358
Leishmania major gamma-tubulin 0.0148 0.1529 0.1529
Trypanosoma brucei beta tubulin 0.0148 0.1529 0.1489
Brugia malayi Tubulin alpha-2 chain 0.0148 0.1529 0.1489
Entamoeba histolytica tubulin family protein 0.0148 0.1529 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.0148 0.1529 0.1529
Plasmodium falciparum tubulin gamma chain 0.0148 0.1529 0.1489
Echinococcus granulosus Tubulin beta 2C chain 0.0148 0.1529 0.1529
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0628 1 1
Trypanosoma brucei alpha tubulin, putative 0.0084 0.0392 0.0346
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0628 1 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0223 0.2857 0.2823
Echinococcus granulosus Tubulin beta 2C chain 0.0148 0.1529 0.1529
Echinococcus granulosus tubulin alpha chain 0.0148 0.1529 0.1529
Echinococcus granulosus tubulin alpha 3 chain 0.0148 0.1529 0.1529
Echinococcus granulosus Tubulin alpha 1 chain 0.0148 0.1529 0.1529
Schistosoma mansoni tubulin subunit gamma 0.0148 0.1529 0.1529
Echinococcus multilocularis tubulin subunit beta 0.0148 0.1529 0.1529
Trichomonas vaginalis tubulin beta chain, putative 0.0148 0.1529 0.358
Trypanosoma brucei alpha tubulin 0.0148 0.1529 0.1489
Trichomonas vaginalis tubulin alpha chain, putative 0.0084 0.0392 0.0833
Entamoeba histolytica tubulin alpha chain, putative 0.0148 0.1529 0.5
Echinococcus multilocularis beta tubulin 0.0148 0.1529 0.1529
Echinococcus multilocularis Tubulin beta 2C chain 0.0148 0.1529 0.1529
Trichomonas vaginalis tubulin gamma chain, putative 0.0148 0.1529 0.358
Leishmania major alpha tubulin 0.0148 0.1529 0.1529
Leishmania major alpha tubulin 0.0148 0.1529 0.1529
Leishmania major beta tubulin 0.0148 0.1529 0.1529
Echinococcus multilocularis hypothetical protein 0.0148 0.1529 0.1529
Echinococcus granulosus tubulin alpha 0.0148 0.1529 0.1529
Leishmania major beta tubulin 0.0148 0.1529 0.1529
Loa Loa (eye worm) tubulin gamma chain 0.0148 0.1529 0.1489
Loa Loa (eye worm) tubulin alpha 2 0.0084 0.0392 0.0346
Trichomonas vaginalis tubulin alpha chain, putative 0.0148 0.1529 0.358
Loa Loa (eye worm) beta-tubulin 0.0148 0.1529 0.1489
Trypanosoma cruzi beta tubulin, putative 0.0148 0.1529 0.1489
Leishmania major beta tubulin 0.0148 0.1529 0.1529
Echinococcus multilocularis Tubulin beta 2C chain 0.0148 0.1529 0.1529
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0148 0.1529 0.1529
Leishmania major beta tubulin 0.0148 0.1529 0.1529
Schistosoma mansoni tubulin subunit beta 0.0148 0.1529 0.1529
Echinococcus granulosus tubulin subunit beta 0.0148 0.1529 0.1529
Leishmania major alpha tubulin 0.0148 0.1529 0.1529
Plasmodium vivax tubulin alpha chain, putative 0.0148 0.1529 0.1489
Entamoeba histolytica tubulin family protein 0.0148 0.1529 0.5
Brugia malayi Tubulin gamma chain 0.0148 0.1529 0.1489
Giardia lamblia Beta tubulin 0.0148 0.1529 1
Leishmania major beta tubulin 0.0148 0.1529 0.1529
Trypanosoma brucei epsilon tubulin 0.0148 0.1529 0.1489
Trypanosoma brucei epsilon tubulin 0.0148 0.1529 0.1489
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0628 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0148 0.1529 0.1529
Echinococcus multilocularis tubulin alpha 3 chain 0.0148 0.1529 0.1529
Leishmania major zeta tubulin, putative 0.0064 0.0048 0.0048
Echinococcus multilocularis tubulin alpha 1C chain 0.0148 0.1529 0.1529
Loa Loa (eye worm) thymidylate synthase 0.0628 1 1
Toxoplasma gondii beta tubulin 0.0148 0.1529 0.1529
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0628 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0148 0.1529 0.1529
Echinococcus multilocularis tubulin alpha chain 0.0148 0.1529 0.1529
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0084 0.0392 0.0833
Loa Loa (eye worm) BEN-1 protein 0.0148 0.1529 0.1489
Trichomonas vaginalis tubulin alpha chain, putative 0.0148 0.1529 0.358
Echinococcus granulosus peroxisome assembly protein 26 0.0148 0.1529 0.1529
Trichomonas vaginalis tubulin beta chain, putative 0.0084 0.0392 0.0833
Echinococcus multilocularis tubulin alpha chain 0.0148 0.1529 0.1529
Loa Loa (eye worm) BEN-1 protein 0.0148 0.1529 0.1489
Loa Loa (eye worm) tubulin alpha-2 chain 0.0148 0.1529 0.1489
Plasmodium falciparum tubulin beta chain 0.0148 0.1529 0.1489
Leishmania major beta tubulin 0.0148 0.1529 0.1529
Onchocerca volvulus 0.0628 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0148 0.1529 0.1529
Leishmania major alpha tubulin 0.0148 0.1529 0.1529
Plasmodium falciparum alpha tubulin 1 0.0148 0.1529 0.1489
Echinococcus granulosus tubulin alpha chain 0.0148 0.1529 0.1529
Schistosoma mansoni tubulin subunit alpha 0.0148 0.1529 0.1529
Echinococcus granulosus tubulin alpha 1C chain 0.0148 0.1529 0.1529
Trichomonas vaginalis tubulin epsilon chain, putative 0.0148 0.1529 0.358
Echinococcus multilocularis tubulin alpha 1C chain 0.0148 0.1529 0.1529
Leishmania major beta tubulin 0.0148 0.1529 0.1529
Schistosoma mansoni tubulin subunit epsilon 0.0148 0.1529 0.1529
Brugia malayi hypothetical protein 0.0299 0.4186 0.4158
Leishmania major beta tubulin 0.0148 0.1529 0.1529
Schistosoma mansoni alpha tubulin 0.0148 0.1529 0.1529
Loa Loa (eye worm) tubulin beta-4 chain 0.0148 0.1529 0.1489
Plasmodium vivax tubulin alpha chain, putative 0.0148 0.1529 0.1489
Trypanosoma cruzi alpha tubulin, putative 0.0148 0.1529 0.1489
Leishmania major alpha tubulin 0.0148 0.1529 0.1529
Leishmania major beta tubulin 0.0148 0.1529 0.1529
Leishmania major alpha tubulin 0.0148 0.1529 0.1529
Giardia lamblia Gamma tubulin 0.0148 0.1529 1
Echinococcus multilocularis beta tubulin 0.0148 0.1529 0.1529
Loa Loa (eye worm) hypothetical protein 0.0148 0.1529 0.1489
Echinococcus granulosus tubulin alpha 1C chain 0.0148 0.1529 0.1529
Echinococcus granulosus tubulin alpha 3 chain 0.0148 0.1529 0.1529
Leishmania major alpha tubulin 0.0148 0.1529 0.1529
Loa Loa (eye worm) tubulin alpha 2 0.0084 0.0392 0.0346
Loa Loa (eye worm) tubulin alpha chain 0.0148 0.1529 0.1489
Brugia malayi Tubulin beta-1 chain 0.0148 0.1529 0.1489
Schistosoma mansoni tubulin subunit alpha 0.0064 0.0048 0.0048
Trichomonas vaginalis tubulin alpha chain, putative 0.0084 0.0392 0.0833
Echinococcus multilocularis tubulin gamma 1 chain 0.0148 0.1529 0.1529
Leishmania major alpha tubulin 0.0148 0.1529 0.1529
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0628 1 1
Trypanosoma brucei beta tubulin 0.0148 0.1529 0.1489
Giardia lamblia Alpha-tubulin 0.0148 0.1529 1
Schistosoma mansoni tubulin subunit beta 0.0148 0.1529 0.1529
Echinococcus multilocularis Tubulin alpha 1 chain 0.0148 0.1529 0.1529
Mycobacterium tuberculosis Hypothetical protein 0.0299 0.4186 0.4186
Entamoeba histolytica tubulin gamma chain 0.0148 0.1529 0.5
Echinococcus multilocularis thymidylate synthase 0.0628 1 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0148 0.1529 0.1529
Echinococcus granulosus tubulin beta 4A class IVa 0.0148 0.1529 0.1529
Echinococcus granulosus beta tubulin 0.0148 0.1529 0.1529
Leishmania major beta tubulin 0.0148 0.1529 0.1529
Trypanosoma brucei beta tubulin 0.0148 0.1529 0.1489
Leishmania major alpha tubulin 0.0148 0.1529 0.1529
Echinococcus multilocularis tubulin subunit TubB 0.0148 0.1529 0.1529
Loa Loa (eye worm) tubulin beta-2A chain 0.0148 0.1529 0.1489
Loa Loa (eye worm) tubulin beta chain 0.0148 0.1529 0.1489
Echinococcus granulosus tubulin beta 1 chain 0.0148 0.1529 0.1529
Echinococcus granulosus alpha tubulin 0.0148 0.1529 0.1529
Toxoplasma gondii alpha-tubulin I, putative 0.0148 0.1529 0.1529
Entamoeba histolytica tubulin alpha-1 chain 0.0148 0.1529 0.5
Leishmania major alpha tubulin 0.0148 0.1529 0.1529
Echinococcus granulosus tubulin alpha chain 0.0148 0.1529 0.1529
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0628 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0148 0.1529 0.1529
Brugia malayi Tubulin beta chain 0.0084 0.0392 0.0346
Echinococcus multilocularis tubulin epsilon chain 0.0148 0.1529 0.1529
Schistosoma mansoni alpha tubulin 0.0148 0.1529 0.1529
Trypanosoma brucei alpha tubulin 0.0148 0.1529 0.1489
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0628 1 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0628 1 1
Giardia lamblia Beta tubulin 0.0148 0.1529 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0148 0.1529 0.1529
Trypanosoma brucei epsilon tubulin 0.0148 0.1529 0.1489
Treponema pallidum cell division protein FtsZ 0.0064 0.0048 0.5
Trypanosoma brucei beta tubulin 0.0148 0.1529 0.1489
Trichomonas vaginalis tubulin beta chain, putative 0.0148 0.1529 0.358
Trichomonas vaginalis hypothetical protein 0.0223 0.2857 0.6789
Schistosoma mansoni tubulin subunit alpha 0.0148 0.1529 0.1529
Plasmodium falciparum tubulin epsilon chain, putative 0.0148 0.1529 0.1489
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0223 0.2857 0.2823
Loa Loa (eye worm) hypothetical protein 0.0084 0.0392 0.0346
Trichomonas vaginalis tubulin epsilon chain, putative 0.0148 0.1529 0.358
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0223 0.2857 0.2857
Mycobacterium tuberculosis Cell division protein FtsZ 0.0064 0.0048 0.0048
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0628 1 1
Echinococcus multilocularis tubulin alpha chain 0.0148 0.1529 0.1529
Leishmania major beta tubulin 0.0148 0.1529 0.1529
Toxoplasma gondii alpha tubulin TUBA1 0.0148 0.1529 0.1529
Echinococcus multilocularis tubulin delta chain 0.0064 0.0048 0.0048
Loa Loa (eye worm) alpha-tubulin 0.0148 0.1529 0.1489
Trypanosoma cruzi epsilon tubulin, putative 0.0148 0.1529 0.1489
Leishmania major beta tubulin 0.0148 0.1529 0.1529
Trypanosoma brucei beta tubulin 0.0148 0.1529 0.1489
Toxoplasma gondii beta-tubulin, putative 0.0148 0.1529 0.1529
Trichomonas vaginalis tubulin, putative 0.0084 0.0392 0.0833
Trichomonas vaginalis tubulin beta chain, putative 0.0148 0.1529 0.358
Trichomonas vaginalis tubulin beta chain, putative 0.0148 0.1529 0.358
Brugia malayi Tubulin alpha-2 chain 0.0148 0.1529 0.1489
Echinococcus granulosus tubulin delta chain 0.0064 0.0048 0.0048
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0223 0.2857 0.5
Echinococcus granulosus tubulin subunit TubB 0.0148 0.1529 0.1529
Plasmodium vivax tubulin epsilon chain, putative 0.0148 0.1529 0.1489
Trichomonas vaginalis tubulin epsilon chain, putative 0.0148 0.1529 0.358
Leishmania major alpha tubulin 0.0148 0.1529 0.1529
Giardia lamblia Beta tubulin 0.0148 0.1529 1
Plasmodium falciparum alpha tubulin 2 0.0148 0.1529 0.1489
Trichomonas vaginalis tubulin epsilon chain, putative 0.0148 0.1529 0.358
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0084 0.0392 0.0346
Trichomonas vaginalis tubulin beta chain, putative 0.0148 0.1529 0.358
Echinococcus granulosus tubulin epsilon chain 0.0148 0.1529 0.1529
Trichomonas vaginalis tubulin beta chain, putative 0.0148 0.1529 0.358
Echinococcus granulosus tubulin alpha chain 0.0148 0.1529 0.1529
Brugia malayi Tubulin alpha chain 0.0148 0.1529 0.1489
Leishmania major alpha tubulin 0.0148 0.1529 0.1529
Leishmania major epsilon tubulin, putative 0.0148 0.1529 0.1529
Leishmania major delta tubulin, putative 0.0064 0.0048 0.0048
Trypanosoma brucei tubulin gamma chain 0.0148 0.1529 0.1489
Leishmania major beta tubulin 0.0148 0.1529 0.1529
Leishmania major beta tubulin 0.0148 0.1529 0.1529
Echinococcus multilocularis tubulin alpha chain 0.0148 0.1529 0.1529
Schistosoma mansoni alpha tubulin 0.0148 0.1529 0.1529
Mycobacterium ulcerans cell division protein FtsZ 0.0064 0.0048 0.0048
Trichomonas vaginalis tubulin gamma chain, putative 0.0148 0.1529 0.358
Schistosoma mansoni tubulin subunit beta 0.0148 0.1529 0.1529
Echinococcus multilocularis tubulin beta 1 chain 0.0148 0.1529 0.1529
Loa Loa (eye worm) tubulin alpha chain 0.0148 0.1529 0.1489
Plasmodium falciparum enoyl-acyl carrier reductase 0.0223 0.2857 0.2823
Plasmodium vivax tubulin gamma chain, putative 0.0148 0.1529 0.1489
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0064 0.0048 0.0048
Schistosoma mansoni tubulin subunit alpha 0.0148 0.1529 0.1529
Trichomonas vaginalis tubulin beta chain, putative 0.0148 0.1529 0.358
Echinococcus multilocularis tubulin alpha chain 0.0148 0.1529 0.1529
Trichomonas vaginalis tubulin, putative 0.0084 0.0392 0.0833
Echinococcus granulosus tubulin alpha chain 0.0148 0.1529 0.1529

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 18.8 uM Inhibition of Bacillus anthracis Enoyl ACP reductase ChEMBL. 18499454
IC50 (binding) = 18.8 uM Inhibition of Bacillus anthracis Enoyl ACP reductase ChEMBL. 18499454
MIC (functional) > 100 ug ml-1 Antibacterial activity against Bacillus anthracis dANR ChEMBL. 18499454

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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