Detailed information for compound 1751297

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 532.341 | Formula: C26H18Cl2F3N3O2
  • H donors: 3 H acceptors: 2 LogP: 7.13 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(c(c1)Cl)CNC(=O)c1c(N)[nH]c(c1c1ccc(cc1)C(F)(F)F)C(=O)c1ccccc1
  • InChi: 1S/C26H18Cl2F3N3O2/c27-18-11-8-16(19(28)12-18)13-33-25(36)21-20(14-6-9-17(10-7-14)26(29,30)31)22(34-24(21)32)23(35)15-4-2-1-3-5-15/h1-12,34H,13,32H2,(H,33,36)
  • InChiKey: NSNOQJMHTQRSSQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.005 0.0103
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0142 0.0248
Echinococcus granulosus carbonic anhydrase 0.0545 0.2235 0.2256
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.005 0.0103
Leishmania major phosphomannose isomerase 0.0094 0.0295 0.0333
Loa Loa (eye worm) ThiF family protein 0.0031 0.0021 0.0014
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.111 0.3155
Schistosoma mansoni mannose-6-phosphate isomerase 0.0094 0.0295 0.0291
Loa Loa (eye worm) hypothetical protein 0.0545 0.2235 0.223
Leishmania major pyruvate kinase 0.0032 0.0028 0.0008
Trypanosoma cruzi ribonuclease inhibitor, putative 0.0028 0.0007 0.0009
Trypanosoma cruzi DNA polymerase eta, putative 0.0062 0.0156 0.0317
Leishmania major carbonic anhydrase family protein, putative 0.1942 0.8244 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1151 0.4843 0.4897
Leishmania major DNA polymerase eta, putative 0.0062 0.0156 0.0164
Trypanosoma cruzi pyruvate kinase 2, putative 0.0032 0.0028 0.0052
Plasmodium vivax pyruvate kinase, putative 0.0032 0.0028 0.025
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.111 0.3155
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.005 0.0103
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0064 0.0166 0.0193
Trypanosoma cruzi DNA polymerase kappa, putative 0.0037 0.005 0.0098
Mycobacterium ulcerans DNA polymerase IV 0.0037 0.005 0.0027
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0094 0.0295 0.0288
Brugia malayi ImpB/MucB/SamB family protein 0.0062 0.0156 0.0149
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0545 0.2235 0.223
Echinococcus multilocularis mannose 6 phosphate isomerase 0.0094 0.0295 0.0291
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0028 0.0021
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.005 0.0103
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0037 0.005 0.0035
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0079 0.0073
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0094 0.0295 0.0288
Trichomonas vaginalis mannose-6-phosphate isomerase, putative 0.0094 0.0295 0.0823
Schistosoma mansoni pyruvate kinase 0.0032 0.0028 0.0021
Mycobacterium tuberculosis Conserved hypothetical protein 0.0037 0.005 0.0048
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0142 0.0547
Echinococcus multilocularis sentrin specific protease 8 0.0064 0.0166 0.0161
Schistosoma mansoni carbonic anhydrase-related 0.0545 0.2235 0.2256
Leishmania major DNA polymerase eta, putative 0.0036 0.0045 0.0029
Brugia malayi ImpB/MucB/SamB family protein 0.0037 0.005 0.0043
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0142 0.0139
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.111 0.3155
Entamoeba histolytica mannose-6-phosphate isomerase, putative 0.0043 0.0075 0.0082
Leishmania major carbonic anhydrase-like protein 0.1151 0.4843 0.5863
Echinococcus multilocularis SUMO activating enzyme subunit 2 0.0031 0.0021 0.0014
Trypanosoma cruzi DNA polymerase kappa, putative 0.0037 0.005 0.0098
Schistosoma mansoni carbonic anhydrase-related 0.0545 0.2235 0.2256
Loa Loa (eye worm) hypothetical protein 0.0032 0.0028 0.0021
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0142 0.0137
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.111 0.1338
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0037 0.005 0.0043
Entamoeba histolytica phosphomannose isomerase, putative 0.0094 0.0295 0.0349
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0036 0.0045 0.0108
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0064 0.0166 0.0161
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1151 0.4843 0.4839
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0064 0.0166 0.0159
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0028 1
Trypanosoma cruzi phosphomannose isomerase, putative 0.0094 0.0295 0.0604
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0028 0.0021
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.111 0.3155
Brugia malayi ThiF family protein 0.0031 0.0021 0.0014
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0142 0.0139
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0545 0.2235 0.223
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0079 0.0073
Echinococcus granulosus dna polymerase eta 0.0062 0.0156 0.0151
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1151 0.4843 0.4897
Loa Loa (eye worm) Ulp1 protease 0.0064 0.0166 0.0159
Mycobacterium ulcerans carbonic anhydrase 0.084 0.3502 0.4228
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0094 0.0295 0.0288
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.111 0.1338
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0031 0.0021 0.0038
Toxoplasma gondii pyruvate kinase PyK1 0.0032 0.0028 0.0031
Echinococcus granulosus pyruvate kinase 0.0032 0.0028 0.0021
Mycobacterium ulcerans DNA polymerase IV 0.0037 0.005 0.0027
Trypanosoma brucei ubiquitin-activating enzyme E1, putative 0.0031 0.0021 0.0044
Trypanosoma brucei pyruvate kinase 1, putative 0.0032 0.0028 0.0058
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0142 0.0137
Echinococcus multilocularis dna polymerase kappa 0.0037 0.005 0.0043
Trypanosoma brucei pyruvate kinase 1 0.0032 0.0028 0.0058
Plasmodium falciparum SUMO-activating enzyme subunit 1 0.0047 0.009 0.0311
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0142 0.0139
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.005 0.0103
Schistosoma mansoni carbonic anhydrase 0.0545 0.2235 0.2256
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.005 0.0103
Echinococcus granulosus carbonic anhydrase 0.0545 0.2235 0.2256
Echinococcus granulosus dna polymerase kappa 0.0037 0.005 0.0043
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.005 0.0103
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0094 0.0295 0.0288
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.111 0.3155
Trypanosoma cruzi hypothetical protein 0.0028 0.0007 0.0009
Plasmodium falciparum mannose-6-phosphate isomerase, putative 0.0094 0.0295 0.1236
Brugia malayi Pyruvate kinase, muscle isozyme 0.0032 0.0028 0.0021
Leishmania major pyruvate kinase 0.0032 0.0028 0.0008
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0142 0.0137
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0047 0.009 0.0084
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.005 0.0103
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1151 0.4843 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0079 0.0073
Schistosoma mansoni DNA polymerase eta 0.0062 0.0156 0.0151
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0079 0.0073
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1151 0.4843 0.4839
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0028 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.0032 0.0028 0.0021
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0064 0.0166 0.0455
Loa Loa (eye worm) hypothetical protein 0.0545 0.2235 0.223
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0037 0.005 0.0043
Toxoplasma gondii phosphomannose isomerase type I protein 0.0094 0.0295 0.1236
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0142 0.0137
Trypanosoma cruzi pyruvate kinase 2, putative 0.0032 0.0028 0.0052
Trypanosoma cruzi ribonuclease inhibitor, putative 0.0028 0.0007 0.0009
Plasmodium falciparum pyruvate kinase 0.0032 0.0028 0.0031
Echinococcus granulosus SUMO activating enzyme subunit 1 0.0047 0.009 0.0084
Trypanosoma cruzi DNA polymerase kappa, putative 0.0037 0.005 0.0098
Plasmodium vivax ubiquitin activating enzyme, putative 0.0047 0.009 0.2516
Trichomonas vaginalis conserved hypothetical protein 0.084 0.3502 1
Trichomonas vaginalis pyruvate kinase, putative 0.0032 0.0028 0.006
Treponema pallidum fructose-bisphosphate aldolase 0.0284 0.111 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0037 0.005 0.0122
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0037 0.005 0.0043
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0028 0.0021
Trichomonas vaginalis pyruvate kinase, putative 0.0032 0.0028 0.006
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0064 0.0166 0.0455
Toxoplasma gondii hypothetical protein 0.0545 0.2235 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1151 0.4843 1
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0042 0.0072 0.0065
Echinococcus granulosus pyruvate kinase 0.0032 0.0028 0.0021
Echinococcus multilocularis carbonic anhydrase II 0.1151 0.4843 0.4897
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.005 0.0103
Trichomonas vaginalis Sentrin-specific protease, putative 0.0064 0.0166 0.0455
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0037 0.005 0.0122
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1151 0.4843 0.4839
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.111 0.3155
Trypanosoma brucei phosphomannose isomerase 0.0094 0.0295 0.0609
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0079 0.0073
Schistosoma mansoni terminal deoxycytidyl transferase 0.0037 0.005 0.0043
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0545 0.2235 0.223
Plasmodium vivax mannose-6-phosphate isomerase, putative 0.0094 0.0295 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.111 0.3155
Giardia lamblia DINP protein human, muc B family 0.0037 0.005 0.0202
Echinococcus multilocularis carbonic anhydrase 0.0545 0.2235 0.2256
Echinococcus granulosus protein tyrosine kinase 0.2322 0.9882 1
Echinococcus granulosus sentrin specific protease 8 0.0064 0.0166 0.0161
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.084 0.3502 0.7547
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0545 0.2235 0.223
Trypanosoma cruzi hypothetical protein 0.0064 0.0166 0.0338
Echinococcus granulosus carbonic anhydrase 0.0545 0.2235 0.2256
Schistosoma mansoni carbonic anhydrase 0.1942 0.8244 0.8342
Echinococcus multilocularis carbonic anhydrase 0.0545 0.2235 0.2256
Echinococcus multilocularis dna polymerase eta 0.0062 0.0156 0.0151
Brugia malayi Muscleblind-like protein 0.0145 0.0511 0.0504
Echinococcus multilocularis pyruvate kinase 0.0032 0.0028 0.0021
Loa Loa (eye worm) hypothetical protein 0.0062 0.0156 0.0149
Entamoeba histolytica carbonic anhydrase, putative 0.1942 0.8244 1
Brugia malayi ThiF family protein 0.0047 0.009 0.0083
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0079 0.0072
Leishmania major DNA polymerase kappa, putative 0.0037 0.005 0.0035
Trypanosoma brucei carbonic anhydrase-like protein 0.1151 0.4843 1
Echinococcus multilocularis muscleblind protein 0.0145 0.0511 0.051
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.005 0.0103
Echinococcus granulosus sumo-activating enzyme subunit 2 0.0031 0.0021 0.0014
Schistosoma mansoni tyrosine kinase 0.2322 0.9882 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1942 0.8244 1
Echinococcus multilocularis protein tyrosine kinase 0.2322 0.9882 1
Mycobacterium tuberculosis Probable mannose-6-phosphate isomerase ManA (phosphomannose isomerase) (phosphomannoisomerase) (PMI) (phosphohexoisomerase) (pho 0.0051 0.0109 0.0176
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0037 0.005 0.0048
Schistosoma mansoni ubiquitin-activating enzyme E1b 0.0031 0.0021 0.0014
Toxoplasma gondii hypothetical protein 0.0047 0.009 0.0311
Trypanosoma brucei DNA polymerase eta, putative 0.0062 0.0156 0.0323
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0545 0.2235 0.223
Echinococcus multilocularis SUMO activating enzyme subunit 1 0.0047 0.009 0.0084
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0037 0.005 0.0043
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.0485 0.0993
Mycobacterium ulcerans mannose-6-phosphate isomerase ManA 0.0094 0.0295 0.0325
Chlamydia trachomatis pyruvate kinase 0.0032 0.0028 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0079 0.0073
Loa Loa (eye worm) hypothetical protein 0.0545 0.2235 0.223
Echinococcus granulosus mannose 6 phosphate isomerase 0.0094 0.0295 0.0291
Schistosoma mansoni pyruvate kinase 0.0032 0.0028 0.0021
Echinococcus multilocularis pyruvate kinase 0.0032 0.0028 0.0021
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0064 0.0166 0.0455
Mycobacterium leprae probable mannose-6-phosphate isomerase ManA (PHOSPHOMANNOSE ISOMERASE) (PHOSPHOMANNOISOMERASE) (PMI) (PHOSPHOHEXOISOMERASE) (PHO 0.0051 0.0109 0.0098
Trypanosoma cruzi phosphomannose isomerase, putative 0.0094 0.0295 0.0604
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0142 0.0147
Schistosoma mansoni carbonic anhydrase-related 0.0545 0.2235 0.2256
Trypanosoma cruzi DNA polymerase eta, putative 0.0036 0.0045 0.0088
Trypanosoma cruzi DNA polymerase kappa, putative 0.0037 0.005 0.0098
Loa Loa (eye worm) TK/FAK protein kinase 0.235 1 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0284 0.111 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.005 0.0103
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0545 0.2235 0.223
Loa Loa (eye worm) carbonic anhydrase 3 0.1151 0.4843 0.4839
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.1102 0.4631 1
Schistosoma mansoni hypothetical protein 0.0545 0.2235 0.2256
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.0485 0.0556
Loa Loa (eye worm) hypothetical protein 0.0145 0.0511 0.0504
Entamoeba histolytica deoxycytidyl transferase, putative 0.0037 0.005 0.0052
Echinococcus multilocularis carbonic anhydrase 0.0545 0.2235 0.2256
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.005 0.0103
Echinococcus granulosus carbonic anhydrase II 0.1151 0.4843 0.4897
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.0485 0.0556
Plasmodium falciparum carbonic anhydrase 0.0545 0.2235 1
Trichomonas vaginalis conserved hypothetical protein 0.084 0.3502 1
Echinococcus granulosus muscleblind protein 0.0145 0.0511 0.051
Loa Loa (eye worm) hypothetical protein 0.0047 0.009 0.0083
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.111 0.3155
Echinococcus multilocularis muscleblind protein 1 0.0145 0.0511 0.051
Loa Loa (eye worm) hypothetical protein 0.0145 0.0511 0.0504
Trypanosoma cruzi ribonuclease inhibitor, putative 0.0028 0.0007 0.0009
Mycobacterium ulcerans carbonic anhydrase 0.1942 0.8244 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0079 0.0073
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0079 0.0072
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0028 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.005 0.0103
Trypanosoma brucei unspecified product 0.0037 0.005 0.0103

Activities

No activities found for this compound.

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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