Detailed information for compound 1738604

Basic information

Technical information
  • TDR Targets ID: 1738604
  • Name: N-(3,4-dichlorophenyl)-2-(3-methyl-4-oxophtha lazin-1-yl)acetamide
  • MW: 362.21 | Formula: C17H13Cl2N3O2
  • H donors: 1 H acceptors: 2 LogP: 3.46 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1nn(C)c(=O)c2c1cccc2)Nc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C17H13Cl2N3O2/c1-22-17(24)12-5-3-2-4-11(12)15(21-22)9-16(23)20-10-6-7-13(18)14(19)8-10/h2-8H,9H2,1H3,(H,20,23)
  • InChiKey: QSFPWDNPWVATOZ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3,4-dichlorophenyl)-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
  • N-(3,4-dichlorophenyl)-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide
  • N-(3,4-dichlorophenyl)-2-(4-keto-3-methyl-phthalazin-1-yl)acetamide
  • N-(3,4-dichlorophenyl)-2-(3-methyl-4-oxo-phthalazin-1-yl)ethanamide
  • STK241595
  • BAS 11355189
  • ZINC04487108

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Cryptosporidium parvum inosine-5-monophosphate dehydrogenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania infantum guanosine monophosphate reductase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania donovani inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania infantum inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma brucei gambiense inosine-5-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Plasmodium berghei inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein Get druggable targets OG5_126887 All targets in OG5_126887
Cryptosporidium parvum inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Candida albicans guanosine nucleotide biosynthesis Get druggable targets OG5_126887 All targets in OG5_126887
Candida albicans N terminus of Inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Babesia bovis inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Plasmodium knowlesi inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Schistosoma mansoni inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma brucei GMP reductase Get druggable targets OG5_126887 All targets in OG5_126887
Candida albicans guanosine nucleotide biosynthesis Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma congolense GMP reductase Get druggable targets OG5_126887 All targets in OG5_126887
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) Get druggable targets OG5_126887 All targets in OG5_126887
Loa Loa (eye worm) IMP dehydrogenase 1 Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma cruzi GMP reductase Get druggable targets OG5_126887 All targets in OG5_126887
Theileria parva Inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Candida albicans N terminus of Inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania braziliensis inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena Get druggable targets OG5_126887 All targets in OG5_126887
Toxoplasma gondii IMP dehydrogenas Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania mexicana inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma cruzi GMP reductase Get druggable targets OG5_126887 All targets in OG5_126887
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 Get druggable targets OG5_126887 All targets in OG5_126887
Neospora caninum hypothetical protein Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania major guanosine monophosphate reductase Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania mexicana guanosine monophosphate reductase Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma brucei gambiense inosine-5-monophosphate dehydrogenase,IMP dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Plasmodium yoelii inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania braziliensis guanosine monophosphate reductase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Schistosoma japonicum ko:K00088 IMP dehydrogenase [EC1.1.1.205], putative Get druggable targets OG5_126887 All targets in OG5_126887
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania major inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Cryptosporidium hominis inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania donovani GMP reductase Get druggable targets OG5_126887 All targets in OG5_126887

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
Brugia malayi valosin containing protein 0.034 0.4627 1
Loa Loa (eye worm) hypothetical protein 0.034 0.4627 1
Plasmodium vivax cell division cycle ATPase, putative 0.021 0.1711 0.1834
Trichomonas vaginalis spermatogenesis associated factor, putative 0.058 1 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.024 0.238 0.238
Schistosoma mansoni cell division control protein 48 aaa family protein 0.055 0.9331 0.9331
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.058 1 0.5
Brugia malayi vesicle-fusing ATPase 0.034 0.4627 1
Mycobacterium tuberculosis Putative conserved ATPase 0.0347 0.4783 1
Loa Loa (eye worm) VCP protein 0.024 0.238 0.5144
Trypanosoma cruzi Valosin-containing protein, putative 0.055 0.9331 1
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.024 0.238 0.238
Brugia malayi transitional endoplasmic reticulum ATPase TER94, putative 0.024 0.238 0.5144
Trypanosoma brucei Valosin-containing protein 0.055 0.9331 1
Giardia lamblia AAA family ATPase 0.0347 0.4783 0.5
Toxoplasma gondii cell division protein CDC48CY 0.058 1 1
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0134 0 0.5
Toxoplasma gondii transitional endoplasmic reticulum ATPase, putative 0.0347 0.4783 0.4783
Toxoplasma gondii cell division protein CDC48AP 0.0347 0.4783 0.4783
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0134 0 0.5
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.055 0.9331 1
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.055 0.9331 0.5
Mycobacterium ulcerans ATPase 0.0347 0.4783 1
Entamoeba histolytica cdc48-like protein, putative 0.055 0.9331 0.5
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.055 0.9331 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.058 1 1
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.055 0.9331 1
Loa Loa (eye worm) vesicle-fusing ATPase 0.034 0.4627 1
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.058 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 55 nM Inhibition of recombinant Cryptosporidium parvum IMPDH assessed as production of NADH by fluorescence assay ChEMBL. 23324406
IC50 (binding) = 95 nM Inhibition of recombinant Cryptosporidium parvum IMPDH assessed as production of NADH by fluorescence assay in presence of 0.05% BSA ChEMBL. 23324406

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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