Detailed information for compound 957548

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.204 | Formula: C18H11Cl2N3O3
  • H donors: 1 H acceptors: 3 LogP: 3.64 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1ncc2c1c1ccccc1oc2=O)Nc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C18H11Cl2N3O3/c19-13-6-5-10(7-14(13)20)22-16(24)9-23-17-11-3-1-2-4-15(11)26-18(25)12(17)8-21-23/h1-8H,9H2,(H,22,24)
  • InChiKey: GNCPHOPYEIRQID-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Candida albicans guanosine nucleotide biosynthesis 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,IMP 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
Trypanosoma brucei GMP reductase 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
Theileria parva Inosine-5'-monophosphate dehydrogenase, putative 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
Cryptosporidium hominis inosine-5-monophosphate dehydrogenase 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
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 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
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
Neospora caninum hypothetical protein 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
Plasmodium knowlesi inosine-5'-monophosphate dehydrogenase, putative 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
Trypanosoma brucei gambiense 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
Leishmania mexicana guanosine monophosphate 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
Plasmodium yoelii 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
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
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
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Toxoplasma gondii IMP dehydrogenas 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
Babesia bovis inosine-5'-monophosphate dehydrogenase, putative 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
Leishmania major guanosine monophosphate reductase 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
Leishmania donovani inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma cruzi GMP reductase 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
Trypanosoma congolense GMP reductase 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
Leishmania infantum guanosine monophosphate reductase, putative 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
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 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
Mycobacterium ulcerans 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 ulcerans inosine 5'-monophosphate dehydrogenase 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
Schistosoma mansoni 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
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0074 0.0796 0.0796
Onchocerca volvulus 0.0074 0.0796 0.0844
Toxoplasma gondii IMP dehydrogenas 0.0134 0.2604 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0074 0.0796 0.0796
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0449 0.0449
Brugia malayi Pax transcription factor protein 2 0.0241 0.5874 0.5874
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0134 0.2604 1
Onchocerca volvulus 0.0074 0.0796 0.0844
Brugia malayi Peptidase family M1 containing protein 0.0074 0.0796 0.0796
Loa Loa (eye worm) GMP reductase 0.0059 0.0327 0.0327
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.3187 0.3187
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0074 0.0796 0.5
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0134 0.2604 0.2604
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0449 0.0449
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0134 0.2604 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0376 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0376 1 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.3187 0.3187
Loa Loa (eye worm) RNA binding protein 0.0063 0.0449 0.0449
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0074 0.0796 0.0796
Echinococcus granulosus tar DNA binding protein 0.0063 0.0449 0.0449
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0134 0.2604 0.2604
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0134 0.2604 0.2604
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0134 0.2604 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0449 0.0449
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0449 0.0449
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0449 0.0449
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0134 0.2604 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0074 0.0796 0.2057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0376 1 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0134 0.2604 1
Onchocerca volvulus 0.0241 0.5874 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0449 0.0449
Brugia malayi Peptidase family M1 containing protein 0.0074 0.0796 0.0796
Trypanosoma cruzi GMP reductase 0.0134 0.2604 1
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0134 0.2604 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0376 1 1
Leishmania major guanosine monophosphate reductase 0.0134 0.2604 1
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0134 0.2604 0.2604
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0074 0.0796 0.0796
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0059 0.0327 0.0327
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0075 0.0802 0.2085
Brugia malayi hypothetical protein 0.0074 0.0796 0.0796
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.3187 0.3187
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0074 0.0796 0.5
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0449 0.0449
Loa Loa (eye worm) aminopeptidase N 0.0074 0.0796 0.0796
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.1712 0.1712
Echinococcus multilocularis aminopeptidase N 0.0074 0.0796 0.0796
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0074 0.0796 0.0796
Loa Loa (eye worm) pax transcription factor protein 2 0.0241 0.5874 0.5874
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0376 1 1
Loa Loa (eye worm) IMP dehydrogenase 1 0.0134 0.2604 0.2604
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0074 0.0796 0.0796
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0059 0.0327 0.0327
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0134 0.2604 1
Trypanosoma cruzi GMP reductase 0.0134 0.2604 1
Echinococcus granulosus aminopeptidase N 0.0074 0.0796 0.0796
Leishmania major inosine-5-monophosphate dehydrogenase 0.0134 0.2604 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0449 0.0449
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0134 0.2604 1
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0134 0.2604 0.5
Loa Loa (eye worm) hypothetical protein 0.0104 0.1712 0.1712
Entamoeba histolytica aminopeptidase, putative 0.0074 0.0796 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0074 0.0796 0.0796
Brugia malayi GMP reductase 0.0059 0.0327 0.0327
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0074 0.0796 0.0796
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0074 0.0796 0.0796
Brugia malayi TAR-binding protein 0.0063 0.0449 0.0449
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0134 0.2604 1
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0134 0.2604 0.5
Brugia malayi RNA binding protein 0.0063 0.0449 0.0449
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.3187 0.3187
Schistosoma mansoni hypothetical protein 0.0104 0.1712 0.1712
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0376 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0376 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0376 1 1
Trypanosoma brucei GMP reductase 0.0134 0.2604 1
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0449 0.0449
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0074 0.0796 0.0796
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0074 0.0796 0.0796
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0074 0.0796 0.0796

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 44 nM Inhibition of Cryptosporidium parvum IMPDH assessed as reduction in NADH production ChEMBL. 25474504
Inhibition (binding) < 20 % Inhibition of human IMPDH2 assessed as reduction in NADH production at 5 uM ChEMBL. 25474504

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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