Detailed information for compound 1021478

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 381.164 | Formula: C17H10Cl2O6
  • H donors: 0 H acceptors: 3 LogP: 3.06 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)C(=O)c1coc2c1C(=O)C(=O)C(=C2Cl)Cl
  • InChi: 1S/C17H10Cl2O6/c1-23-9-4-3-7(5-10(9)24-2)14(20)8-6-25-17-11(8)15(21)16(22)12(18)13(17)19/h3-6H,1-2H3
  • InChiKey: BQTUQQHIXRSNKZ-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 peptide deformylase (mitochondrial) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128237 All targets in OG5_128237
Neospora caninum Peptide deformylase, related Get druggable targets OG5_128237 All targets in OG5_128237
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium knowlesi peptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Mycobacterium ulcerans peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium falciparum peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium berghei peptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) Get druggable targets OG5_128237 All targets in OG5_128237
Chlamydia trachomatis peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237
Treponema pallidum polypeptide deformylase (def) Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium vivax peptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium yoelii polypeptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Wolbachia endosymbiont of Brugia malayi peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major polypeptide deformylase-like protein, putative peptide deformylase (mitochondrial) 243 aa 207 aa 27.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Conserved protein 0.0036 0.025 0.0666
Loa Loa (eye worm) hypothetical protein 0.002 0.0047 0.0052
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0126 0.0281
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.0297 0.0812
Trichomonas vaginalis esterase, putative 0.0036 0.025 0.7211
Brugia malayi glutathione reductase 0.004 0.0297 0.0327
Brugia malayi hypothetical protein 0.0078 0.0764 0.0842
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0333 0.0367
Loa Loa (eye worm) hypothetical protein 0.0036 0.025 0.0276
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0631 0.0696
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0631 0.0631
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0126 0.0281
Loa Loa (eye worm) RNA binding protein 0.0067 0.0631 0.0696
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0631 0.3729
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0597 0.1744
Onchocerca volvulus 0.003 0.0176 0.078
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0516 0.1494
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0438 0.259
Mycobacterium tuberculosis Conserved protein 0.0036 0.025 0.0666
Echinococcus granulosus Niemann Pick C1 protein 0.01 0.104 0.1146
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0631 0.3729
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.025 0.7211
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0078 0.0764 0.0764
Echinococcus multilocularis Niemann Pick C1 protein 0.0143 0.1571 0.1571
Plasmodium vivax glutathione reductase, putative 0.004 0.0297 0.0812
Leishmania major trypanothione reductase 0.004 0.0297 0.2413
Brugia malayi hypothetical protein 0.002 0.0047 0.0052
Trypanosoma brucei Peptide deformylase 2 0.0106 0.1118 1
Entamoeba histolytica hypothetical protein 0.0078 0.0764 0.7248
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0516 0.1494
Brugia malayi Thioredoxin reductase 0.004 0.0297 0.0327
Brugia malayi RNA binding protein 0.0067 0.0631 0.0696
Echinococcus multilocularis musashi 0.003 0.0176 0.0176
Schistosoma mansoni intermediate filament proteins 0.003 0.0176 0.1037
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.01 0.104 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.025 0.0276
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.025 0.1478
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0279 0.3251 1
Echinococcus multilocularis neuropeptide receptor A26 0.0469 0.5602 0.5602
Plasmodium vivax hypothetical protein, conserved 0.0036 0.025 0.0666
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.0976 0.1076
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0091 0.0931 0.2786
Brugia malayi hypothetical protein 0.0026 0.0126 0.0139
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0126 0.0281
Onchocerca volvulus Huntingtin homolog 0.0137 0.15 0.8833
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0516 0.0516
Loa Loa (eye worm) hypothetical protein 0.002 0.0047 0.0052
Echinococcus multilocularis thioredoxin glutathione reductase 0.0041 0.0304 0.0304
Trypanosoma brucei trypanothione reductase 0.004 0.0297 0.2413
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.025 0.198
Schistosoma mansoni hypothetical protein 0.0041 0.0314 0.1855
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0279 0.3251 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.1118 1
Brugia malayi TAR-binding protein 0.0067 0.0631 0.0696
Schistosoma mansoni rab6-interacting 0.002 0.0047 0.0279
Loa Loa (eye worm) glutathione reductase 0.004 0.0297 0.0327
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.025 0.198
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0091 0.0931 0.2786
Echinococcus multilocularis protein patched 0.0043 0.0333 0.0333
Onchocerca volvulus 0.0036 0.025 0.1234
Loa Loa (eye worm) hypothetical protein 0.0137 0.15 0.1654
Echinococcus granulosus lamin dm0 0.003 0.0176 0.0194
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0597 0.1744
Mycobacterium ulcerans hypothetical protein 0.0036 0.025 0.0666
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0047 0.0047
Echinococcus multilocularis lamin dm0 0.003 0.0176 0.0176
Brugia malayi MH2 domain containing protein 0.0124 0.1338 0.1476
Schistosoma mansoni polycystin 1-related 0.002 0.0047 0.0279
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0597 0.5183
Leishmania major hypothetical protein, conserved 0.0026 0.0126 0.0834
Schistosoma mansoni hypothetical protein 0.0041 0.0314 0.1855
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0477 0.5698 0.6282
Loa Loa (eye worm) hypothetical protein 0.003 0.0176 0.0194
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0976 0.5767
Echinococcus granulosus expressed conserved protein 0.0094 0.0965 0.1064
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0976 0.5767
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0429 0.0473
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.023 0.0254
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0279 0.3251 1
Plasmodium vivax thioredoxin reductase, putative 0.004 0.0297 0.0812
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0102 0.1058 0.3178
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0286 0.8412
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0036 0.004
Mycobacterium tuberculosis Probable dehydrogenase 0.0091 0.0931 0.2786
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0091 0.0931 0.2271
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.1118 1
Toxoplasma gondii hypothetical protein 0.0279 0.3251 1
Toxoplasma gondii thioredoxin reductase 0.004 0.0297 0.0812
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.025 0.0276
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.1118 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0002 0.0002
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.0976 0.1076
Schistosoma mansoni loxhd1 0.002 0.0047 0.0279
Entamoeba histolytica hypothetical protein 0.0078 0.0764 0.7248
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0039 0.0286 0.8412
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0631 0.0696
Loa Loa (eye worm) hypothetical protein 0.0026 0.0126 0.0139
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0039 0.0286 0.1689
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0047 0.0035
Echinococcus granulosus Niemann Pick C1 protein 0.0143 0.1571 0.1732
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0126 0.0834
Loa Loa (eye worm) hypothetical protein 0.003 0.0169 0.0186
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0047 0.0052
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.025 0.0666
Brugia malayi beta-lactamase 0.0036 0.025 0.0276
Schistosoma mansoni patched 1 0.0043 0.0333 0.1968
Mycobacterium ulcerans beta-lactamase 0.0036 0.025 0.0666
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0429 0.0473
Schistosoma mansoni hypothetical protein 0.0035 0.023 0.1361
Loa Loa (eye worm) doublecortin family protein 0.002 0.0047 0.0052
Schistosoma mansoni ap endonuclease 0.0019 0.0036 0.0212
Loa Loa (eye worm) hypothetical protein 0.0036 0.025 0.0276
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0036 0.004
Loa Loa (eye worm) hypothetical protein 0.0749 0.907 1
Echinococcus granulosus neuropeptide receptor A26 0.0469 0.5602 0.6177
Echinococcus granulosus RUN 0.002 0.0047 0.0052
Echinococcus multilocularis survival motor neuron protein 1 0.0749 0.907 0.907
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.0976 0.1076
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0047 0.0047
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0286 0.231
Plasmodium vivax peptide deformylase, putative 0.0279 0.3251 1
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0333 0.0367
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0126 0.0834
Echinococcus granulosus neuropeptide s receptor 0.0469 0.5602 0.6177
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0597 0.3526
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0126 0.0834
Brugia malayi intermediate filament protein 0.003 0.0176 0.0194
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0102 0.1059 0.6259
Brugia malayi follicle stimulating hormone receptor 0.0477 0.5698 0.6282
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.1338 0.1476
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0631 0.3729
Schistosoma mansoni survival motor neuron protein 0.0153 0.1692 1
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.1338 0.1476
Brugia malayi hypothetical protein 0.0749 0.907 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0102 0.1058 0.3178
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0039 0.0286 0.231
Loa Loa (eye worm) hypothetical protein 0.0137 0.15 0.1654
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.0516 0.444
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.025 0.025
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.025 0.7211
Brugia malayi beta-lactamase family protein 0.0036 0.025 0.0276
Brugia malayi beta-lactamase family protein 0.0036 0.025 0.0276
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0976 0.5767
Schistosoma mansoni hypothetical protein 0.002 0.0047 0.0279
Onchocerca volvulus 0.0153 0.1692 1
Plasmodium falciparum peptide deformylase 0.0279 0.3251 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0597 0.1744
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0597 0.0658
Onchocerca volvulus Huntingtin homolog 0.0137 0.15 0.8833
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.0516 0.3051
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.0976 0.0976
Schistosoma mansoni lipoxygenase 0.002 0.0047 0.0279
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.025 0.0666
Mycobacterium ulcerans lipase LipD 0.0036 0.025 0.0666
Echinococcus multilocularis tumor protein p63 0.0352 0.4151 0.4151
Schistosoma mansoni lipoxygenase 0.0056 0.0489 0.2892
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0002 0.0002
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0039 0.0286 0.0315
Trypanosoma brucei Polypeptide deformylase 1 0.0106 0.1118 1
Leishmania major hypothetical protein, conserved 0.0036 0.025 0.198
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.025 0.0666
Mycobacterium ulcerans peptide deformylase 0.0279 0.3251 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0333 0.0367
Brugia malayi hypothetical protein 0.002 0.0047 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0333 1
Echinococcus granulosus tumor protein p63 0.0352 0.4151 0.4577
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0315
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0126 0.0281
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0056 0.0489 0.0539
Loa Loa (eye worm) hypothetical protein 0.0036 0.025 0.0276
Echinococcus multilocularis ubiquitin specific protease 41 0.0039 0.0286 0.0286
Plasmodium falciparum thioredoxin reductase 0.004 0.0297 0.0812
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0516 0.0569
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.1118 1
Echinococcus multilocularis protein dispatched 1 0.0049 0.0408 0.0408
Loa Loa (eye worm) thioredoxin reductase 0.004 0.0297 0.0327
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.025 0.0666
Entamoeba histolytica hypothetical protein 0.0078 0.0764 0.7248
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0039 0.0286 0.0286
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.0297 0.2413
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0597 0.1744
Loa Loa (eye worm) intermediate filament protein 0.003 0.0176 0.0194
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0047 0.0035
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0597 0.1744
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0102 0.1058 0.2691
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.025 0.0666
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.025 0.0276
Loa Loa (eye worm) hypothetical protein 0.0036 0.025 0.0276
Schistosoma mansoni lamin 0.003 0.0176 0.1037
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0631 0.3729
Plasmodium falciparum glutathione reductase 0.004 0.0297 0.0812
Brugia malayi Doublecortin family protein 0.002 0.0047 0.0052
Onchocerca volvulus 0.0036 0.025 0.1234
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0078 0.0764 0.0842
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.0976 0.1076
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0516 0.0569
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.025 0.7211
Brugia malayi hypothetical protein 0.0137 0.15 0.1654
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0039 0.0286 0.0315
Brugia malayi Niemann-Pick C1 protein precursor 0.01 0.104 0.1146
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0056 0.0489 0.0489
Echinococcus granulosus ubiquitin specific protease 41 0.0039 0.0286 0.0315
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.025 0.0666
Schistosoma mansoni rab6-interacting 0.002 0.0047 0.0279
Toxoplasma gondii ABC1 family protein 0.0036 0.025 0.0666
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.0516 0.1494
Echinococcus multilocularis RUN 0.002 0.0047 0.0047
Entamoeba histolytica hypothetical protein 0.0078 0.0764 0.7248
Schistosoma mansoni hypothetical protein 0.0041 0.0314 0.1855
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0468 0.0516
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0631 0.3729
Loa Loa (eye worm) hypothetical protein 0.0053 0.0453 0.0499
Echinococcus multilocularis lamin 0.003 0.0176 0.0176
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.025 0.0666
Schistosoma mansoni hypothetical protein 0.0078 0.0764 0.4513
Leishmania major polypeptide deformylase-like protein, putative 0.0106 0.1118 1
Brugia malayi CHE-14 protein 0.0043 0.0333 0.0367
Loa Loa (eye worm) hypothetical protein 0.0036 0.025 0.0276
Schistosoma mansoni lamin 0.003 0.0176 0.1037
Echinococcus granulosus lamin 0.003 0.0176 0.0194
Mycobacterium tuberculosis Probable reductase 0.0091 0.0931 0.2786
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0176 0.0194
Schistosoma mansoni transcription factor LCR-F1 0.0078 0.0764 0.4513
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0039 0.0286 0.2489
Loa Loa (eye worm) hypothetical protein 0.0051 0.0429 0.0473
Onchocerca volvulus 0.0051 0.0438 0.2378
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0039 0.0286 1
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.025 0.0666
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0333 0.0367
Echinococcus granulosus thioredoxin glutathione reductase 0.0041 0.0304 0.0335
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.025 0.7211
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0091 0.0931 0.2786
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0091 0.0931 0.2786
Mycobacterium tuberculosis Probable oxidoreductase 0.0102 0.1058 0.3178
Schistosoma mansoni hypothetical protein 0.0153 0.1692 1
Onchocerca volvulus 0.003 0.0176 0.078
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0047 0.0047
Echinococcus granulosus intermediate filament protein 0.003 0.0176 0.0194
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.2667 0.8184
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0047 0.0052
Echinococcus granulosus survival motor neuron protein 1 0.0749 0.907 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0286 0.231
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0333 0.0333
Echinococcus multilocularis Niemann Pick C1 protein 0.01 0.104 0.104
Treponema pallidum polypeptide deformylase (def) 0.0279 0.3251 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0036 0.0036
Chlamydia trachomatis peptide deformylase 0.0279 0.3251 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.025 0.7211
Schistosoma mansoni hypothetical protein 0.0041 0.0314 0.1855
Echinococcus multilocularis neuropeptide s receptor 0.0469 0.5602 0.5602
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0176 0.0194
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0597 0.3526
Schistosoma mansoni ap endonuclease 0.0019 0.0036 0.0212
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0039 0.0286 0.0286
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0286 0.231
Loa Loa (eye worm) hypothetical protein 0.01 0.104 0.1146
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.025 0.1478
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0153 0.1692 0.1866
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.025 0.0666
Onchocerca volvulus 0.0036 0.025 0.1234
Loa Loa (eye worm) beta-lactamase 0.0036 0.025 0.0276
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.025 0.198
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0039 0.0286 0.8412
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0429 0.0473
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0039 0.0286 0.0315
Loa Loa (eye worm) hypothetical protein 0.0036 0.025 0.0276
Brugia malayi hypothetical protein 0.0017 0.0011 0.0012
Loa Loa (eye worm) hypothetical protein 0.0035 0.023 0.0254
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0036 0.004
Loa Loa (eye worm) hypothetical protein 0.0051 0.0438 0.0483
Mycobacterium tuberculosis Conserved protein 0.0036 0.025 0.0666
Echinococcus multilocularis expressed conserved protein 0.0094 0.0965 0.0965
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0597 0.0597
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0631 0.0696
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0047 0.0052
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.0976 0.0976
Echinococcus granulosus tar DNA binding protein 0.0067 0.0631 0.0696
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0039 0.0286 0.1689

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.1 uM Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay ChEMBL. 21719286
IC50 (functional) = 66 uM Cytotoxicity against human Y79 cells ChEMBL. 21719286
IC50 (binding) = 67 uM Inhibition of Escherichia coli peptide deformylase after 1 hr by fluorescence polarization based competition assay ChEMBL. 21719286
IC50 (functional) = 67 uM Cytotoxicity against human Jurkat cells ChEMBL. 21719286
IC50 (functional) = 69 uM Cytotoxicity against human HL60 cells ChEMBL. 21719286
IC50 (functional) = 71 uM Cytotoxicity against human MOLT3 cells ChEMBL. 21719286
IC50 (functional) = 100 uM Cytotoxicity against human vincristine-resistant HL60 cells ChEMBL. 21719286
IC50 (ADMET) = 100 uM Cytotoxicity against human HEK293 cells ChEMBL. 21719286
Inhibition (binding) = 46 % Inhibition of human recombinant MMP1 at 100 uM after 1 hr by fluorescence polarization based competition assay ChEMBL. 21719286
Inhibition (binding) = 63 % Inhibition of Escherichia coli peptide deformylase at 100 uM after 1 hr by fluorescence polarization based competition assay ChEMBL. 21719286
Inhibition (binding) = 99 % Inhibition of porcine kidney microsomal aminopeptidase N at 100 uM after 1 hr by fluorescence polarization based competition assay ChEMBL. 21719286
Inhibition (binding) = 100 % Inhibition of human peptide deformylase at 100 uM after 1 hr by fluorescence polarization based competition assay ChEMBL. 21719286

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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