Detailed information for compound 1220705

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 455.457 | Formula: C24H25NO8
  • H donors: 5 H acceptors: 7 LogP: 0.82 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c(O)ccc(c1O)C(=O)O)CC[C@]1(C)C(=O)C=C[C@]23[C@@H]1[C@@]14C[C@@]4(C2)[C@]([C@@H]3O)(O1)C
  • InChi: 1S/C24H25NO8/c1-20(7-6-14(28)25-15-12(26)4-3-11(16(15)29)17(30)31)13(27)5-8-22-9-23-10-24(23,18(20)22)33-21(23,2)19(22)32/h3-5,8,18-19,26,29,32H,6-7,9-10H2,1-2H3,(H,25,28)(H,30,31)/t18-,19+,20-,21+,22-,23+,24-/m1/s1
  • InChiKey: TUHIUIGYYSZKCN-ACYPNERUSA-N  

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 3-oxoacyl-[acyl-carrier-protein] synthase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126985 All targets in OG5_126985
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase Get druggable targets OG5_126985 All targets in OG5_126985
Trypanosoma brucei gambiense beta-ketoacyl synthase family protein, putative Get druggable targets OG5_126985 All targets in OG5_126985
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II Get druggable targets OG5_126985 All targets in OG5_126985
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II Get druggable targets OG5_126985 All targets in OG5_126985
Mycobacterium leprae 3-oxoacyl-[acyl-carrier-protein] synthase 1 KasA (BETA-KETOACYL-ACP SYNTHASE) (KAS I) Get druggable targets OG5_126985 All targets in OG5_126985
Trypanosoma congolense beta-ketoacyl synthase family protein, putative Get druggable targets OG5_126985 All targets in OG5_126985
Leishmania infantum beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative Get druggable targets OG5_126985 All targets in OG5_126985
Trypanosoma brucei beta-ketoacyl-ACP synthase Get druggable targets OG5_126985 All targets in OG5_126985
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein Get druggable targets OG5_126985 All targets in OG5_126985
Schistosoma mansoni 3-oxoacyl-[ACP] synthase Get druggable targets OG5_126985 All targets in OG5_126985
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase Get druggable targets OG5_126985 All targets in OG5_126985
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative Get druggable targets OG5_126985 All targets in OG5_126985
Candida albicans potential beta-keto-acyl synthase similar to S. cerevisiae CEM1 (YER061C) mitochondrial enzyme involved in hexadecanal biosynthe Get druggable targets OG5_126985 All targets in OG5_126985
Plasmodium knowlesi 3-oxoacyl-(acyl-carrier-protein) synthase, putative Get druggable targets OG5_126985 All targets in OG5_126985
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative Get druggable targets OG5_126985 All targets in OG5_126985
Plasmodium yoelii 3-oxoacyl-acyl-carrier protein synthase I/II Get druggable targets OG5_126985 All targets in OG5_126985
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative Get druggable targets OG5_126985 All targets in OG5_126985
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II Get druggable targets OG5_126985 All targets in OG5_126985
Leishmania mexicana beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative Get druggable targets OG5_126985 All targets in OG5_126985
Candida albicans potential beta-keto-acyl synthase similar to S. cerevisiae CEM1 (YER061C) mitochondrial enzyme involved in hexadecanal biosynthe Get druggable targets OG5_126985 All targets in OG5_126985
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126985 All targets in OG5_126985
Trypanosoma congolense beta-ketoacyl synthase family protein, putative Get druggable targets OG5_126985 All targets in OG5_126985
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] synthase 2 KasB (beta-ketoacyl-ACP synthase) (KAS I) Get druggable targets OG5_126985 All targets in OG5_126985
Leishmania donovani beta-ketoacyl synthase family protein, putative Get druggable targets OG5_126985 All targets in OG5_126985
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase Get druggable targets OG5_126985 All targets in OG5_126985
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] synthase 1 KasA (beta-ketoacyl-ACP synthase) (KAS I) Get druggable targets OG5_126985 All targets in OG5_126985
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative Get druggable targets OG5_126985 All targets in OG5_126985
Neospora caninum 3-oxoacyl-(Acyl-carrier-protein) synthase II, related Get druggable targets OG5_126985 All targets in OG5_126985
Plasmodium berghei 3-oxoacyl-acyl-carrier protein synthase, putative Get druggable targets OG5_126985 All targets in OG5_126985
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative Get druggable targets OG5_126985 All targets in OG5_126985
Leishmania braziliensis beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative Get druggable targets OG5_126985 All targets in OG5_126985
Schistosoma japonicum ko:K09458 3-oxoacyl-[acyl-carrier-protein] synthase II [EC2.3.1.179], putative Get druggable targets OG5_126985 All targets in OG5_126985
Mycobacterium leprae 3-oxoacyl-[acyl-carrier-protein] synthase 2 KasB (BETA-KETOACYL-ACP SYNTHASE) (KAS I) Get druggable targets OG5_126985 All targets in OG5_126985
Chlamydia trachomatis 3-oxoacyl-ACP synthase Get druggable targets OG5_126985 All targets in OG5_126985

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) hypothetical protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 430 aa 20.7 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 442 aa 25.1 %
Drosophila melanogaster CG17374 gene product from transcript CG17374-RC 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 426 aa 28.6 %
Cryptosporidium parvum type I fatty acid synthase 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 357 aa 25.2 %
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 381 aa 25.2 %
Mycobacterium tuberculosis Polyketide synthase Pks13 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 423 aa 26.5 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 436 aa 23.9 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 343 aa 23.6 %
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 442 aa 26.0 %
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 380 aa 26.8 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 432 aa 22.2 %
Cryptosporidium hominis hypothetical protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 427 aa 25.1 %
Toxoplasma gondii AMP-binding enzyme domain-containing protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 406 aa 23.6 %
Onchocerca volvulus 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 361 aa 39.1 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 418 aa 26.3 %
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 393 aa 25.2 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 430 aa 21.9 %
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 361 aa 26.9 %
Neospora caninum Short-chain dehydrogenase/reductase SDR, related 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 415 aa 23.4 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 413 aa 25.2 %
Mycobacterium tuberculosis Polyketide synthase Pks2 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 378 aa 25.4 %
Mycobacterium ulcerans polyketide synthase Pks9 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 372 aa 24.2 %
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 381 aa 27.0 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 443 aa 25.1 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 377 aa 23.9 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 399 aa 24.1 %
Neospora caninum Soraphen polyketide synthase A, related 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 363 aa 23.7 %
Loa Loa (eye worm) hypothetical protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 371 aa 25.6 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 436 aa 24.3 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 435 aa 25.3 %
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 361 aa 26.3 %
Toxoplasma gondii type I fatty acid synthase, putative 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 415 aa 23.6 %
Mycobacterium ulcerans Type I modular polyketide synthase 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 360 aa 25.8 %
Toxoplasma gondii type I fatty acid synthase, putative 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 438 aa 24.0 %
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 401 aa 25.4 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 442 aa 25.1 %
Mycobacterium ulcerans polyketide synthase Pks13 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 369 aa 27.1 %
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 402 aa 26.4 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 444 aa 26.6 %
Onchocerca volvulus Lysine-specific histone demethylase 1A homolog 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 430 aa 21.2 %
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 390 aa 25.4 %
Drosophila melanogaster CG3523 gene product from transcript CG3523-RA 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 402 aa 25.9 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 404 aa 27.7 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 439 aa 23.0 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 390 aa 26.9 %
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 371 aa 25.9 %
Onchocerca volvulus 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 371 aa 25.9 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 431 aa 27.4 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 392 aa 25.8 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 445 aa 24.7 %
Mycobacterium ulcerans fatty acid synthase Fas 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 325 aa 26.5 %
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 362 aa 26.0 %
Mycobacterium ulcerans Type I modular polyketide synthase 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 360 aa 25.8 %
Mycobacterium leprae Polyketide synthase Pks13 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 358 aa 27.7 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 446 aa 24.2 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 436 aa 24.3 %
Mycobacterium ulcerans Type I modular polyketide synthase 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 360 aa 25.8 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 435 aa 24.4 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 441 aa 24.5 %
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 358 aa 26.3 %
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 440 aa 25.7 %
Dictyostelium discoideum beta-ketoacyl synthase family protein 3-oxoacyl-[acyl-carrier-protein] synthase 2   403 aa 436 aa 24.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus intermediate filament protein 0.003 0.0564 0.0511
Plasmodium vivax hypothetical protein, conserved 0.0035 0.08 0.2908
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.08 0.0384
Echinococcus multilocularis lysine specific demethylase 5A 0.0064 0.1998 0.1953
Brugia malayi Heterochromatin protein 1 0.0068 0.2156 0.2156
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0485 0.1676
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1042 0.3419
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0485 0.1676
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.1998 0.7591
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.08 0.2908
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.097 0.0919
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1192 0.4441
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0079 0.2615 0.5
Entamoeba histolytica hypothetical protein 0.0039 0.097 0.5
Mycobacterium ulcerans beta-lactamase 0.0035 0.08 0.1467
Mycobacterium tuberculosis Conserved protein 0.0035 0.08 0.0384
Schistosoma mansoni hypothetical protein 0.0053 0.1522 0.5728
Loa Loa (eye worm) hypothetical protein 0.0035 0.08 0.08
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1192 0.1143
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.08 0.08
Schistosoma mansoni survival motor neuron protein 0.0053 0.1522 0.5728
Brugia malayi beta-lactamase family protein 0.0035 0.08 0.08
Brugia malayi chromobox protein homolog 3 0.0038 0.0923 0.0923
Entamoeba histolytica hypothetical protein 0.0039 0.097 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0064 0.1998 0.1953
Onchocerca volvulus 0.0035 0.08 0.3018
Brugia malayi beta-lactamase 0.0035 0.08 0.08
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.08 0.1988
Mycobacterium leprae 3-oxoacyl-[acyl-carrier-protein] synthase 1 KasA (BETA-KETOACYL-ACP SYNTHASE) (KAS I) 0.0052 0.1476 1
Echinococcus multilocularis lamin 0.003 0.0564 0.0511
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] synthase 1 KasA (beta-ketoacyl-ACP synthase) (KAS I) 0.0052 0.1476 0.1216
Brugia malayi hypothetical protein 0.0018 0.0082 0.0082
Mycobacterium ulcerans hypothetical protein 0.0035 0.08 0.1467
Schistosoma mansoni lamin 0.003 0.0564 0.1986
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0079 0.2615 0.2615
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.08 0.2908
Echinococcus granulosus lamin 0.003 0.0564 0.0511
Echinococcus multilocularis chromobox protein 1 0.0068 0.2156 0.2112
Leishmania major hypothetical protein, conserved 0.0028 0.0485 0.1676
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0079 0.2615 1
Brugia malayi intermediate filament protein 0.003 0.0564 0.0564
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.1933 0.1933
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.1042 0.5363
Schistosoma mansoni intermediate filament proteins 0.003 0.0564 0.1986
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.08 0.1988
Brugia malayi jmjC domain containing protein 0.0017 0.0056 0.0056
Entamoeba histolytica hypothetical protein 0.0039 0.097 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.08 0.1467
Brugia malayi STAT protein, DNA binding domain containing protein 0.0173 0.6458 0.6458
Echinococcus granulosus chromobox protein 1 0.0068 0.2156 0.2112
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.097 0.0919
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0564 0.0564
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0923 0.2714
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.2156 0.2156
Echinococcus multilocularis musashi 0.003 0.0564 0.0511
Trichomonas vaginalis esterase, putative 0.0035 0.08 0.1988
Loa Loa (eye worm) hypothetical protein 0.0017 0.0056 0.0056
Brugia malayi jmjC domain containing protein 0.0017 0.0056 0.0056
Loa Loa (eye worm) intermediate filament protein 0.003 0.0564 0.0564
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0028 0.0488 0.1689
Loa Loa (eye worm) hypothetical protein 0.0028 0.0485 0.0485
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.08 0.0384
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.08 0.0384
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.08 0.1988
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.1933 0.1888
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0923 0.4207
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.08 0.0384
Loa Loa (eye worm) hypothetical protein 0.0035 0.08 0.08
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.08 0.2908
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.08 0.08
Loa Loa (eye worm) hypothetical protein 0.003 0.0583 0.0583
Mycobacterium tuberculosis Conserved protein 0.0035 0.08 0.0384
Schistosoma mansoni lamin 0.003 0.0564 0.1986
Brugia malayi jmjC domain containing protein 0.0064 0.1998 0.1998
Entamoeba histolytica hypothetical protein 0.0039 0.097 0.5
Schistosoma mansoni chromobox protein 0.0068 0.2156 0.8208
Echinococcus multilocularis survival motor neuron protein 1 0.0259 1 1
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0079 0.2615 1
Schistosoma mansoni jumonji domain containing protein 0.0064 0.1998 0.7591
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.08 0.0748
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.08 0.0384
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1192 0.1192
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.1933 0.1888
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0485 0.1676
Echinococcus multilocularis chromobox protein 1 0.0068 0.2156 0.2112
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0079 0.2615 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.0056 0.0056
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.08 0.0384
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.08 0.2908
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.1933 0.6794
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.0056 0.0056
Echinococcus granulosus lamin dm0 0.003 0.0564 0.0511
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1192 0.1143
Brugia malayi hypothetical protein 0.0039 0.097 0.097
Brugia malayi hypothetical protein 0.0028 0.0485 0.0485
Loa Loa (eye worm) hypothetical protein 0.0035 0.08 0.08
Onchocerca volvulus 0.003 0.0564 0.0735
Loa Loa (eye worm) hypothetical protein 0.0017 0.0056 0.0056
Echinococcus granulosus survival motor neuron protein 1 0.0259 1 1
Onchocerca volvulus 0.0053 0.1522 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.8617 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.08 0.08
Toxoplasma gondii type I fatty acid synthase, putative 0.0028 0.0488 0.1689
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.1998 0.7591
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0079 0.2615 1
Onchocerca volvulus 0.003 0.0564 0.0735
Loa Loa (eye worm) STAT protein 0.0173 0.6458 0.6458
Loa Loa (eye worm) hypothetical protein 0.0029 0.0542 0.0542
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1042 0.3419
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1192 0.4441
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0485 0.1676
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0079 0.2615 0.2574
Toxoplasma gondii type I fatty acid synthase, putative 0.0028 0.0488 0.1689
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0079 0.2615 1
Onchocerca volvulus 0.0035 0.08 0.3018
Echinococcus multilocularis lamin dm0 0.003 0.0564 0.0511
Loa Loa (eye worm) beta-lactamase 0.0035 0.08 0.08
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0079 0.2615 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0923 0.0923
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.08 0.0748
Schistosoma mansoni hypothetical protein 0.0039 0.097 0.3572
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0923 0.2714
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0063 0.1933 0.7336
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0079 0.2615 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0063 0.1933 0.1778
Echinococcus granulosus lysine specific demethylase 5A 0.0064 0.1998 0.1953
Mycobacterium ulcerans lipase LipD 0.0035 0.08 0.1467
Loa Loa (eye worm) hypothetical protein 0.0035 0.08 0.08
Onchocerca volvulus 0.0035 0.08 0.3018
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.08 0.2908
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0485 0.1676
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0079 0.2615 0.2574
Echinococcus granulosus chromobox protein 1 0.0068 0.2156 0.2112
Loa Loa (eye worm) hypothetical protein 0.0028 0.0488 0.0488
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0079 0.2615 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0079 0.2615 0.2615
Toxoplasma gondii ABC1 family protein 0.0035 0.08 0.2908
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.1933 0.6794
Mycobacterium leprae conserved hypothetical protein 0.0035 0.08 0.3157
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1192 0.1192
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.08 0.1988
Loa Loa (eye worm) hypothetical protein 0.0028 0.0488 0.0488
Onchocerca volvulus 0.003 0.0583 0.0918
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1192 0.4441
Brugia malayi beta-lactamase family protein 0.0035 0.08 0.08
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1192 0.1143
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.1998 0.1998
Mycobacterium leprae 3-oxoacyl-[acyl-carrier-protein] synthase 2 KasB (BETA-KETOACYL-ACP SYNTHASE) (KAS I) 0.0052 0.1476 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0028 0.0488 0.0488
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0079 0.2615 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0056 0.0056
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.1522 0.1522
Mycobacterium tuberculosis Conserved protein 0.0035 0.08 0.0384
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0079 0.2615 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0485 0.1676
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.097 0.3572
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.08 0.0384
Trichomonas vaginalis chromobox protein, putative 0.0068 0.2156 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0028 0.0488 0.0488
Mycobacterium leprae Probable lipase LipE 0.0035 0.08 0.3157
Brugia malayi jmjC domain containing protein 0.0017 0.0056 0.0056
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1192 0.1143
Trichomonas vaginalis chromobox protein, putative 0.0068 0.2156 1
Brugia malayi jmjC domain containing protein 0.0017 0.0056 0.0056
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0064 0.1998 0.1953
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0227 0.8681 0.8681
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0079 0.2615 0.5
Brugia malayi jmjC domain containing protein 0.0064 0.1998 0.1998
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.1759 0.1759
Loa Loa (eye worm) hypothetical protein 0.0035 0.08 0.08
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.0056 0.0056
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0028 0.0488 0.1689
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.08 0.1467
Leishmania major hypothetical protein, conserved 0.0035 0.08 0.2908
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0485 0.1676
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.08 0.1988
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0063 0.1933 0.7336
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0564 0.0564
Loa Loa (eye worm) hypothetical protein 0.003 0.0564 0.0564
Brugia malayi follicle stimulating hormone receptor 0.0227 0.8681 0.8681
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] synthase 2 KasB (beta-ketoacyl-ACP synthase) (KAS I) 0.0052 0.1476 0.1216
Schistosoma mansoni chromobox protein 0.0068 0.2156 0.8208

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antibacterial activity against Escherichia coli at 64 ug/ml after 20 hrs ChEMBL. 21214253
IC50 (binding) = 1.25 ug ml-1 Inhibition of Staphylococcus aureus FASF assessed as [2-14C]-malonyl CoA incorporation after 90 mins by cell free-based scintillation counting ChEMBL. 21214253

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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