Detailed information for compound 911727

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 437.894 | Formula: C24H21ClFN3O2
  • H donors: 2 H acceptors: 2 LogP: 5.08 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)NC(=O)C(=Cc1ccc(cc1)N(C)C)NC(=O)c1ccccc1F
  • InChi: 1S/C24H21ClFN3O2/c1-29(2)19-12-10-16(11-13-19)14-22(24(31)27-18-7-5-6-17(25)15-18)28-23(30)20-8-3-4-9-21(20)26/h3-15H,1-2H3,(H,27,31)(H,28,30)/b22-14-
  • InChiKey: LVVGRTZVNJEKDL-HMAPJEAMSA-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 nucleoside phosphatase, putative 0.0027 0.0562 0.2629
Leishmania major adenylate kinase 2 0.002 0.0326 0.1526
Schistosoma mansoni adenylate kinase 0.0062 0.182 0.182
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0562 0.8802
Trichomonas vaginalis adenosine diphosphatase, putative 0.0027 0.0562 0.8802
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.007 0.2136 0.2136
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0066 0.1985 1
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.007 0.2136 1
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.007 0.2136 0.2136
Loa Loa (eye worm) GMP reductase 0.0029 0.0644 0.2137
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0094 0.3012 0.3012
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0083 0.2595 0.2595
Trichomonas vaginalis adenosine diphosphatase, putative 0.0027 0.0562 0.8802
Leishmania major adenylate kinase, putative 0.0029 0.0638 0.2987
Brugia malayi Nucleoside-diphosphatase mig-23 0.0027 0.0562 0.2164
Trypanosoma cruzi adenylate kinase, putative 0.002 0.0326 0.1526
Trichomonas vaginalis adenosine/guanosine diphosphatase, putative 0.0027 0.0562 0.8802
Trypanosoma cruzi adenylate kinase, putative 0.0029 0.0638 0.2987
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0029 0.0644 0.2481
Trichomonas vaginalis NADH dehydrogenase 51 kDa subunit, putative 0.0029 0.0638 1
Toxoplasma gondii NTPase II 0.0027 0.0562 0.1864
Leishmania major inosine-5-monophosphate dehydrogenase 0.007 0.2136 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0094 0.3012 0.3012
Trypanosoma cruzi nucleoside phosphatase, putative 0.0027 0.0562 0.2629
Loa Loa (eye worm) hypothetical protein 0.0027 0.0562 0.1864
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.007 0.2136 1
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0027 0.0562 0.0562
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0037 0.0923 0.0954
Plasmodium falciparum nucleoside-diphosphatase, putative 0.0027 0.0562 0.0562
Treponema pallidum adenylate kinase (adk) 0.0029 0.0638 0.5
Trichomonas vaginalis guanosine-diphosphatase, putative 0.0027 0.0562 0.8802
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.007 0.2136 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.007 0.2136 1
Trypanosoma brucei adenylate kinase, putative 0.002 0.0326 0.1526
Loa Loa (eye worm) hypothetical protein 0.0094 0.3012 1
Onchocerca volvulus Putative GMP reductase 0.0029 0.0644 0.5
Leishmania major ATP diphosphohydrolase 0.0027 0.0562 0.2629
Leishmania major guanosine monophosphate reductase 0.007 0.2136 1
Schistosoma mansoni ATP-diphosphohydrolase 1 0.0287 1 1
Trichomonas vaginalis adenosine diphosphatase, putative 0.0027 0.0562 0.8802
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.007 0.2136 1
Trypanosoma brucei GMP reductase 0.007 0.2136 1
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.0027 0.0562 0.1864
Leishmania major adenylate kinase, putative 0.002 0.0326 0.1526
Trichomonas vaginalis guanosine-diphosphatase, putative 0.0027 0.0562 0.8802
Schistosoma mansoni guanosine-diphosphatase 0.0027 0.0562 0.0562
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0083 0.2595 0.8614
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0287 1 1
Trypanosoma cruzi nucleoside phosphatase, putative 0.0027 0.0562 0.2629
Schistosoma mansoni adenylate kinase 0.0029 0.0638 0.0638
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0094 0.3012 1
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0066 0.1985 0.8869
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.007 0.2136 1
Trichomonas vaginalis guanosine-diphosphatase, putative 0.0027 0.0562 0.8802
Schistosoma mansoni guanosine-diphosphatase 0.0027 0.0562 0.0562
Plasmodium falciparum adenylate kinase 0.0029 0.0638 0.0638
Toxoplasma gondii adenylate kinase, putative 0.0029 0.0638 0.2118
Trypanosoma brucei adenylate kinase, putative 0.0029 0.0638 0.2987
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.007 0.2136 0.5
Toxoplasma gondii IMP dehydrogenas 0.007 0.2136 0.7092
Trypanosoma cruzi GMP reductase 0.007 0.2136 1
Trichomonas vaginalis NADH dehydrogenase 51 kDa subunit, putative 0.0029 0.0638 1
Leishmania major nucleoside phosphatase, putative,guanosine diphosphatase, putative 0.0027 0.0562 0.2629
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.007 0.2136 0.2136
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0083 0.2595 0.2595
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.007 0.2136 1
Trypanosoma cruzi adenylate kinase 2 0.002 0.0326 0.1526
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.007 0.2136 0.8233
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.0027 0.0562 0.1864
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0094 0.3012 0.3012
Echinococcus multilocularis adenylate kinase 2, mitochondrial 0.0029 0.0638 0.0638
Schistosoma mansoni adenosine diphosphatase 0.0027 0.0562 0.0562
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0083 0.2595 1
Toxoplasma gondii Nucleoside-diphosphatase 0.0027 0.0562 0.1864
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0029 0.0644 0.2481
Trypanosoma cruzi adenylate kinase, putative 0.0029 0.0638 0.2987
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.0027 0.0562 0.1864
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0287 1 1
Trypanosoma brucei nucleoside diphosphatase, putative 0.0027 0.0562 0.2629
Echinococcus granulosus adenylate kinase 2 mitochondrial 0.0029 0.0638 0.0638
Echinococcus granulosus 3'partial|ectonucleoside triphosphate diphosphohydrolase 0.0027 0.0562 0.0562
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0094 0.3012 0.3012
Loa Loa (eye worm) IMP dehydrogenase 1 0.007 0.2136 0.7092
Brugia malayi GMP reductase 0.0029 0.0644 0.2481
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0094 0.3012 1
Echinococcus granulosus ectonucleoside triphosphate diphosphohydrolase 0.0027 0.0562 0.0562
Plasmodium vivax nucleoside-diphosphatase mig-23, putative 0.0027 0.0562 0.283
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0094 0.3012 0.3012
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0287 1 1
Trypanosoma cruzi GMP reductase 0.007 0.2136 1
Schistosoma mansoni adenylate kinase 0.0029 0.0638 0.0638
Plasmodium vivax adenylate kinase 2, putative 0.0029 0.0638 0.3215
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0066 0.1985 0.1985
Plasmodium falciparum apyrase, putative 0.0287 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0562 0.8802
Trichomonas vaginalis adenosine diphosphatase, putative 0.0027 0.0562 0.8802

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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