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 adenylate kinase, putative 0.0029 0.0638 0.2987
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0037 0.0923 0.0954
Leishmania major adenylate kinase, putative 0.002 0.0326 0.1526
Trichomonas vaginalis guanosine-diphosphatase, putative 0.0027 0.0562 0.8802
Trichomonas vaginalis adenosine diphosphatase, putative 0.0027 0.0562 0.8802
Loa Loa (eye worm) hypothetical protein 0.0094 0.3012 1
Leishmania major ATP diphosphohydrolase 0.0027 0.0562 0.2629
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0094 0.3012 0.3012
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.0027 0.0562 0.1864
Schistosoma mansoni adenylate kinase 0.0029 0.0638 0.0638
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.007 0.2136 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.007 0.2136 1
Toxoplasma gondii NTPase II 0.0027 0.0562 0.1864
Trypanosoma cruzi GMP reductase 0.007 0.2136 1
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0066 0.1985 0.8869
Leishmania major nucleoside phosphatase, putative,guanosine diphosphatase, putative 0.0027 0.0562 0.2629
Toxoplasma gondii Nucleoside-diphosphatase 0.0027 0.0562 0.1864
Brugia malayi GMP reductase 0.0029 0.0644 0.2481
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0066 0.1985 1
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0287 1 1
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 IMP dehydrogenas 0.007 0.2136 0.7092
Schistosoma mansoni adenylate kinase 0.0029 0.0638 0.0638
Trypanosoma cruzi GMP reductase 0.007 0.2136 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0094 0.3012 0.3012
Trypanosoma brucei nucleoside phosphatase, putative 0.0027 0.0562 0.2629
Loa Loa (eye worm) hypothetical protein 0.0027 0.0562 0.1864
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.0027 0.0562 0.1864
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0029 0.0644 0.2481
Echinococcus multilocularis adenylate kinase 2, mitochondrial 0.0029 0.0638 0.0638
Trichomonas vaginalis adenosine diphosphatase, putative 0.0027 0.0562 0.8802
Schistosoma mansoni adenosine diphosphatase 0.0027 0.0562 0.0562
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.007 0.2136 0.2136
Onchocerca volvulus Putative GMP reductase 0.0029 0.0644 0.5
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.007 0.2136 1
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0562 0.8802
Trypanosoma cruzi adenylate kinase, putative 0.002 0.0326 0.1526
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0094 0.3012 0.3012
Schistosoma mansoni guanosine-diphosphatase 0.0027 0.0562 0.0562
Leishmania major adenylate kinase 2 0.002 0.0326 0.1526
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0083 0.2595 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.007 0.2136 1
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0027 0.0562 0.0562
Leishmania major inosine-5-monophosphate dehydrogenase 0.007 0.2136 1
Echinococcus granulosus 3'partial|ectonucleoside triphosphate diphosphohydrolase 0.0027 0.0562 0.0562
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.007 0.2136 1
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0083 0.2595 0.8614
Plasmodium vivax adenylate kinase 2, putative 0.0029 0.0638 0.3215
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0094 0.3012 0.3012
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0083 0.2595 0.2595
Trichomonas vaginalis guanosine-diphosphatase, putative 0.0027 0.0562 0.8802
Trypanosoma cruzi nucleoside phosphatase, putative 0.0027 0.0562 0.2629
Plasmodium falciparum apyrase, putative 0.0287 1 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0094 0.3012 1
Leishmania major adenylate kinase, putative 0.0029 0.0638 0.2987
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0287 1 1
Echinococcus granulosus ectonucleoside triphosphate diphosphohydrolase 0.0027 0.0562 0.0562
Trichomonas vaginalis NADH dehydrogenase 51 kDa subunit, putative 0.0029 0.0638 1
Schistosoma mansoni ATP-diphosphohydrolase 1 0.0287 1 1
Trichomonas vaginalis adenosine/guanosine diphosphatase, putative 0.0027 0.0562 0.8802
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.007 0.2136 0.8233
Loa Loa (eye worm) IMP dehydrogenase 1 0.007 0.2136 0.7092
Trypanosoma brucei GMP reductase 0.007 0.2136 1
Brugia malayi Nucleoside-diphosphatase mig-23 0.0027 0.0562 0.2164
Plasmodium falciparum adenylate kinase 0.0029 0.0638 0.0638
Trypanosoma brucei nucleoside diphosphatase, putative 0.0027 0.0562 0.2629
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0066 0.1985 0.1985
Trichomonas vaginalis adenosine diphosphatase, putative 0.0027 0.0562 0.8802
Trypanosoma cruzi nucleoside phosphatase, putative 0.0027 0.0562 0.2629
Loa Loa (eye worm) GMP reductase 0.0029 0.0644 0.2137
Trichomonas vaginalis adenosine diphosphatase, putative 0.0027 0.0562 0.8802
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.007 0.2136 1
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0287 1 1
Trypanosoma cruzi adenylate kinase 2 0.002 0.0326 0.1526
Schistosoma mansoni guanosine-diphosphatase 0.0027 0.0562 0.0562
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.007 0.2136 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0094 0.3012 1
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.007 0.2136 1
Treponema pallidum adenylate kinase (adk) 0.0029 0.0638 0.5
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.0027 0.0562 0.1864
Schistosoma mansoni adenylate kinase 0.0062 0.182 0.182
Trichomonas vaginalis guanosine-diphosphatase, putative 0.0027 0.0562 0.8802
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0562 0.8802
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.007 0.2136 0.2136
Plasmodium falciparum nucleoside-diphosphatase, putative 0.0027 0.0562 0.0562
Toxoplasma gondii adenylate kinase, putative 0.0029 0.0638 0.2118
Echinococcus granulosus adenylate kinase 2 mitochondrial 0.0029 0.0638 0.0638
Leishmania major guanosine monophosphate reductase 0.007 0.2136 1
Plasmodium vivax nucleoside-diphosphatase mig-23, putative 0.0027 0.0562 0.283
Trypanosoma cruzi adenylate kinase, putative 0.0029 0.0638 0.2987
Trypanosoma brucei adenylate kinase, putative 0.002 0.0326 0.1526
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.007 0.2136 0.2136
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0094 0.3012 0.3012
Trypanosoma cruzi adenylate kinase, putative 0.0029 0.0638 0.2987
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0083 0.2595 0.2595

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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