Detailed information for compound 1922276

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 341.208 | Formula: C16H15Cl2FN2O
  • H donors: 2 H acceptors: 1 LogP: 4.5 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)CNC(=O)C(Nc1ccc(cc1Cl)Cl)C
  • InChi: 1S/C16H15Cl2FN2O/c1-10(21-15-7-4-12(17)8-14(15)18)16(22)20-9-11-2-5-13(19)6-3-11/h2-8,10,21H,9H2,1H3,(H,20,22)
  • InChiKey: BAJAWQMEVZMBNZ-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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0035 0.0935 0.093
Loa Loa (eye worm) pyruvate kinase 0.0023 0.0565 0.0988
Onchocerca volvulus 0.0039 0.1046 0.2107
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0035 0.0935 0.093
Mycobacterium ulcerans aldehyde dehydrogenase 0.0092 0.2687 1
Schistosoma mansoni acetylcholinesterase 0.0015 0.0315 0.031
Onchocerca volvulus 0.0015 0.0315 0.0627
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0013 0.0253 0.0247
Brugia malayi Pre-SET motif family protein 0.0021 0.0505 0.0883
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0092 0.2687 0.2683
Onchocerca volvulus 0.0164 0.4945 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0315 0.0551
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0006 0.005 0.0044
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0092 0.2687 1
Echinococcus multilocularis geminin 0.0253 0.7689 0.7687
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0013 0.0253 0.442
Echinococcus multilocularis acetylcholinesterase 0.0089 0.2607 0.2603
Schistosoma mansoni neuroligin 3 (S09 family) 0.0015 0.0315 0.031
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0035 0.0935 0.093
Schistosoma mansoni gliotactin 0.0015 0.0315 0.031
Leishmania major pyruvate kinase 0.0023 0.0565 0.2085
Onchocerca volvulus 0.0023 0.0562 0.1127
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0013 0.0253 0.0922
Echinococcus granulosus survival motor neuron protein 1 0.0189 0.5718 0.5715
Onchocerca volvulus Pyruvate kinase homolog 0.0023 0.0565 0.1132
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0005 0.0011 0.0011
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0013 0.0253 0.442
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0011 0.0011
Mycobacterium ulcerans aldehyde dehydrogenase 0.0092 0.2687 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0013 0.0253 0.442
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0005 0.0011 0.0011
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0015 0.0315 0.031
Toxoplasma gondii aldehyde dehydrogenase 0.0092 0.2687 1
Chlamydia trachomatis pyruvate kinase 0.0023 0.0565 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0092 0.2687 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0505 0.0883
Echinococcus granulosus BC026374 protein S09 family 0.0015 0.0315 0.031
Echinococcus multilocularis pyruvate kinase 0.0023 0.0565 0.056
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0007 0.0066 0.0115
Entamoeba histolytica pyruvate kinase, putative 0.0016 0.0348 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0023 0.0562 0.0983
Echinococcus multilocularis neuroligin 0.0015 0.0315 0.031
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0015 0.0315 0.0627
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0035 0.0935 0.1635
Loa Loa (eye worm) CYP4Cod1 0.0009 0.0132 0.0231
Treponema pallidum exodeoxyribonuclease (exoA) 0.0013 0.0253 1
Echinococcus granulosus pyruvate kinase 0.0023 0.0565 0.056
Plasmodium vivax pyruvate kinase, putative 0.0023 0.0565 1
Schistosoma mansoni cpg binding protein 0.0024 0.0603 0.0598
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0021 0.0505 0.1863
Schistosoma mansoni hypothetical protein 0.0253 0.7689 0.7687
Loa Loa (eye worm) hypothetical protein 0.0015 0.0315 0.0551
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0015 0.0315 0.031
Trypanosoma cruzi cytochrome P450, putative 0.0009 0.0132 0.2268
Schistosoma mansoni hypothetical protein 0.0327 1 1
Schistosoma mansoni pyruvate kinase 0.0012 0.0216 0.0211
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0005 0.0011 0.0011
Schistosoma mansoni aldehyde dehydrogenase 0.0092 0.2687 0.2683
Echinococcus granulosus para nitrobenzyl esterase 0.0015 0.0315 0.031
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0013 0.0253 0.0442
Schistosoma mansoni mixed-lineage leukemia protein mll 0.005 0.1385 0.138
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0035 0.0935 0.093
Onchocerca volvulus 0.0015 0.0315 0.0627
Plasmodium vivax SET domain protein, putative 0.0021 0.0505 0.8287
Trypanosoma brucei pyruvate kinase 1 0.0023 0.0565 1
Loa Loa (eye worm) carboxylesterase 0.0089 0.2607 0.4559
Loa Loa (eye worm) delta-1-pyrroline-5-carboxylate dehydrogenase 0.0005 0.0005 0.001
Schistosoma mansoni ap endonuclease 0.0013 0.0253 0.0247
Brugia malayi hypothetical protein 0.0015 0.0315 0.0551
Echinococcus granulosus mixed lineage leukemia protein mll 0.0006 0.005 0.0044
Brugia malayi Pre-SET motif family protein 0.0144 0.4328 0.757
Echinococcus granulosus pyruvate kinase 0.0012 0.0216 0.0211
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0006 0.005 0.0044
Brugia malayi Carboxylesterase family protein 0.0015 0.0315 0.0551
Loa Loa (eye worm) hypothetical protein 0.0006 0.0051 0.0089
Brugia malayi CXXC zinc finger family protein 0.0023 0.0562 0.0983
Loa Loa (eye worm) hypothetical protein 0.0015 0.0315 0.0551
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0035 0.0935 0.093
Loa Loa (eye worm) aldehyde dehydrogenase 4 0.0005 0.0005 0.001
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0013 0.0253 0.0922
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0013 0.0253 0.0922
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0011 0.0011
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0005 0.0011 0.0011
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0015 0.0315 0.031
Brugia malayi Carboxylesterase family protein 0.0089 0.2607 0.4559
Schistosoma mansoni hypothetical protein 0.0253 0.7689 0.7687
Trichomonas vaginalis pyruvate kinase, putative 0.0023 0.0565 0.1132
Echinococcus granulosus pyruvate kinase 0.0012 0.0216 0.0211
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0011 0.0011
Onchocerca volvulus Pyruvate kinase homolog 0.0023 0.0565 0.1132
Echinococcus granulosus acetylcholinesterase 0.0089 0.2607 0.2603
Echinococcus granulosus geminin 0.0253 0.7689 0.7687
Loa Loa (eye worm) hypothetical protein 0.0089 0.2607 0.4559
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0035 0.0935 0.093
Mycobacterium ulcerans aldehyde dehydrogenase 0.0092 0.2687 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0505 0.05
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0009 0.0132 0.0473
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0013 0.0253 1
Schistosoma mansoni cpg binding protein 0.0024 0.0603 0.0598
Loa Loa (eye worm) cytochrome P450 family protein 0.0009 0.0132 0.0231
Schistosoma mansoni aldehyde dehydrogenase 0.0092 0.2687 0.2683
Trypanosoma cruzi cytochrome P450, putative 0.0009 0.0132 0.2268
Echinococcus multilocularis pyruvate kinase 0.0012 0.0216 0.0211
Brugia malayi exodeoxyribonuclease III family protein 0.0013 0.0253 0.0442
Echinococcus multilocularis survival motor neuron protein 1 0.0189 0.5718 0.5715
Mycobacterium leprae Probable pyruvate kinase PykA 0.0023 0.0565 1
Loa Loa (eye worm) pyruvate kinase-PB 0.0016 0.0348 0.0609
Echinococcus multilocularis pyruvate kinase 0.0018 0.0414 0.0409
Brugia malayi Succinate semialdehyde dehydrogenase, mitochondrial precursor 0.0005 0.0005 0.001
Toxoplasma gondii pyruvate kinase PyK1 0.0023 0.0565 0.2085
Loa Loa (eye worm) carboxylesterase 0.0015 0.0315 0.0551
Giardia lamblia Pyruvate kinase 0.0012 0.0216 0.3774
Loa Loa (eye worm) acetylcholinesterase 1 0.0089 0.2607 0.4559
Toxoplasma gondii exonuclease III APE 0.0013 0.0253 0.0922
Trichomonas vaginalis ap endonuclease, putative 0.0013 0.0253 0.05
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0015 0.0315 0.1155
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0005 0.0011 0.0011
Trichomonas vaginalis helicase, putative 0.0005 0.0011 0.0011
Plasmodium falciparum pyruvate kinase 0.0023 0.0565 1
Brugia malayi Aldehyde dehydrogenase protein 4 0.0005 0.0005 0.001
Echinococcus granulosus pyruvate kinase 0.0023 0.0565 0.056
Brugia malayi aldehyde dehydrogenase 0.0005 0.0005 0.001
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0021 0.0505 0.05
Schistosoma mansoni survival motor neuron protein 0.0039 0.1046 0.1041
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0023 0.0565 0.2085
Loa Loa (eye worm) cytochrome P450 family protein 0.0009 0.0132 0.0231
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0013 0.0253 0.0247
Loa Loa (eye worm) hypothetical protein 0.0189 0.5718 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0015 0.0315 0.0627
Echinococcus multilocularis para nitrobenzyl esterase 0.0015 0.0315 0.031
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0093 0.0088
Trypanosoma cruzi pyruvate kinase 2, putative 0.0023 0.0565 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0035 0.0935 0.093
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0013 0.0253 0.1038
Brugia malayi Cytochrome P450 family protein 0.0009 0.0132 0.0231
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.001
Onchocerca volvulus 0.0021 0.0505 0.1011
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0039 0.1046 0.183
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0011 0.0011
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0015 0.0315 0.031
Trichomonas vaginalis pyruvate kinase, putative 0.0023 0.0565 0.1132
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0505 0.05
Toxoplasma gondii pyruvate kinase PyKII 0.0012 0.0216 0.0787
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0011 0.0011
Mycobacterium tuberculosis Carboxylesterase LipT 0.0015 0.0315 0.1155
Giardia lamblia Pyruvate kinase 0.0023 0.0565 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.2607 0.4559
Echinococcus granulosus neuroligin 0.0015 0.0315 0.031
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.002 0.0466 0.0461
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0505 0.05
Onchocerca volvulus 0.0015 0.0315 0.0627
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0092 0.2687 0.2683
Onchocerca volvulus Pyruvate kinase homolog 0.0023 0.0565 0.1132
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0144 0.4328 0.757
Mycobacterium ulcerans pyruvate kinase 0.0023 0.0565 0.2085
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0006 0.005 0.0044
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0011 0.0011
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0505 0.05
Echinococcus granulosus cpg binding protein 0.0024 0.0603 0.0598
Echinococcus multilocularis BC026374 protein (S09 family) 0.0015 0.0315 0.031
Brugia malayi Pyruvate kinase, M2 isozyme 0.0023 0.0565 0.0988
Loa Loa (eye worm) hypothetical protein 0.0015 0.0315 0.0551
Brugia malayi Carboxylesterase family protein 0.0015 0.0315 0.0551
Trypanosoma cruzi pyruvate kinase 2, putative 0.0023 0.0565 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0005 0.0011 0.0011
Echinococcus multilocularis cpg binding protein 0.0024 0.0603 0.0598
Schistosoma mansoni pyruvate kinase 0.0023 0.0565 0.056
Trypanosoma brucei pyruvate kinase 1, putative 0.0023 0.0565 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0505 0.05
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0013 0.0253 0.7211
Loa Loa (eye worm) hypothetical protein 0.0015 0.0315 0.0551
Echinococcus multilocularis acetylcholinesterase 0.0089 0.2607 0.2603
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0015 0.0315 0.031
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0006 0.005 0.0044
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0089 0.2607 0.2603
Echinococcus multilocularis pyruvate kinase 0.0012 0.0216 0.0211
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0013 0.0253 0.442
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.001
Brugia malayi Carboxylesterase family protein 0.0015 0.0315 0.0551
Schistosoma mansoni hypothetical protein 0.0039 0.1046 0.1041
Leishmania major pyruvate kinase 0.0023 0.0565 0.2085
Schistosoma mansoni cpg binding protein 0.0023 0.0562 0.0557
Onchocerca volvulus 0.0015 0.0315 0.0627
Echinococcus multilocularis carboxylesterase 5A 0.0089 0.2607 0.2603
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0011 0.0011
Loa Loa (eye worm) carboxylesterase 0.0015 0.0315 0.0551
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0021 0.0505 0.05
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0013 0.0253 0.1038
Brugia malayi Carboxylesterase family protein 0.0015 0.0315 0.0551
Schistosoma mansoni pyruvate kinase 0.0023 0.0565 0.056
Schistosoma mansoni BC026374 protein (S09 family) 0.0015 0.0315 0.031
Trichomonas vaginalis set domain proteins, putative 0.0164 0.4945 1
Echinococcus multilocularis dnaJ subfamily B 0.0327 1 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.0023 0.0565 0.0988
Echinococcus granulosus acetylcholinesterase 0.0089 0.2607 0.2603
Toxoplasma gondii histone lysine methyltransferase SET1 0.0044 0.1223 0.454
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0005 0.0011 0.0011
Trichomonas vaginalis ap endonuclease, putative 0.0013 0.0253 0.05
Echinococcus multilocularis pyruvate kinase 0.0012 0.0216 0.0211
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0016 0.0348 0.0609
Loa Loa (eye worm) hypothetical protein 0.0015 0.0315 0.0551
Mycobacterium ulcerans carboxylesterase, LipT 0.0015 0.0315 0.1155
Brugia malayi F/Y-rich N-terminus family protein 0.0008 0.0091 0.0158
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0035 0.0935 0.1635
Onchocerca volvulus 0.0015 0.0315 0.0627
Loa Loa (eye worm) pyruvate kinase 0.0023 0.0565 0.0988
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0015 0.0315 0.1155
Loa Loa (eye worm) hypothetical protein 0.0015 0.0315 0.0551
Echinococcus multilocularis pyruvate kinase 0.0023 0.0565 0.056
Echinococcus granulosus carboxylesterase 5A 0.0089 0.2607 0.2603
Trypanosoma brucei cytochrome P450, putative 0.0009 0.0132 0.2268
Loa Loa (eye worm) aldehyde dehydrogenase 0.0005 0.0005 0.001
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0093 0.0088
Brugia malayi Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial precursor 0.0005 0.0005 0.001
Brugia malayi Cytochrome P450 family protein 0.0009 0.0132 0.0231
Schistosoma mansoni ap endonuclease 0.0013 0.0253 0.0247
Echinococcus granulosus pyruvate kinase 0.0012 0.0216 0.0211
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0005 0.0011 0.0011
Leishmania major cytochrome p450-like protein 0.0009 0.0132 0.0473
Loa Loa (eye worm) histone methyltransferase 0.0008 0.0093 0.0163
Loa Loa (eye worm) pyruvate kinase 0.0023 0.0565 0.0988
Brugia malayi Carboxylesterase family protein 0.0089 0.2607 0.4559
Brugia malayi hypothetical protein 0.0189 0.5718 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0565 0.0988
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0011 0.0011

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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