Detailed information for compound 29210

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 282.294 | Formula: C16H14N2O3
  • H donors: 1 H acceptors: 2 LogP: 1.81 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2[nH]c3c(c2cc1c1cnco1)CC(=O)CC3
  • InChi: 1S/C16H14N2O3/c1-20-15-6-14-11(5-12(15)16-7-17-8-21-16)10-4-9(19)2-3-13(10)18-14/h5-8,18H,2-4H2,1H3
  • InChiKey: WHABKDSYEZDJDV-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
Homo sapiens IMP (inosine 5'-monophosphate) dehydrogenase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani 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
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 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
Plasmodium berghei inosine-5'-monophosphate dehydrogenase, 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
Cryptosporidium parvum inosine-5-monophosphate dehydrogenase 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
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
Plasmodium knowlesi inosine-5'-monophosphate dehydrogenase, putative 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
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
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
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 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
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 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 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
Candida albicans guanosine nucleotide biosynthesis 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
Theileria parva 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
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
Trypanosoma cruzi 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
Leishmania mexicana inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Neospora caninum hypothetical protein 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 GMP reductase 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
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 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 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
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
Cryptosporidium hominis 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
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 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
Onchocerca volvulus 0.0079 0.0156 0.027
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0898 0.3955 0.4031
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0156 0.0006
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.026 0.0997 0.2056
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.211 0.9581 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0898 0.3955 0.4031
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0156 0.0006
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0079 0.0156 0.0006
Loa Loa (eye worm) hypothetical protein 0.0898 0.3955 0.386
Echinococcus granulosus tm gpcr rhodopsin 0.0079 0.0156 0.0006
Toxoplasma gondii hypothetical protein 0.0898 0.3955 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.211 0.9581 1
Echinococcus granulosus g protein coupled receptor 0.0079 0.0156 0.0006
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0857 0.3767 0.7901
Onchocerca volvulus 0.0079 0.0156 0.027
Onchocerca volvulus 0.0079 0.0156 0.027
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0089 0.0205 0.0272
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0156 0.0006
Echinococcus granulosus carbonic anhydrase 0.0898 0.3955 0.4035
Echinococcus granulosus neuropeptide Y receptor 0.0079 0.0156 0.0006
Onchocerca volvulus 0.0079 0.0156 0.027
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.211 0.9581 1
Echinococcus multilocularis carbonic anhydrase II 0.211 0.9581 1
Loa Loa (eye worm) IMP dehydrogenase 1 0.0095 0.0231 0.0076
Onchocerca volvulus 0.0079 0.0156 0.027
Loa Loa (eye worm) carbonic anhydrase 3 0.211 0.9581 0.9574
Echinococcus granulosus hypothetical protein 0.0079 0.0156 0.0006
Mycobacterium ulcerans carbonic anhydrase 0.1595 0.719 0.9545
Echinococcus multilocularis carbonic anhydrase 0.0898 0.3955 0.4031
Echinococcus granulosus allatostatin A receptor 0.0079 0.0156 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.1669 0.7533 1
Echinococcus granulosus orexin receptor type 2 0.0079 0.0156 0.0006
Trypanosoma brucei carbonic anhydrase-like protein 0.211 0.9581 1
Echinococcus granulosus neuropeptide receptor 0.0079 0.0156 0.0006
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0095 0.0231 0.044
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0079 0.0156 0.0006
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0095 0.0231 0.008
Echinococcus granulosus 7TM GPCR rhodopsin 0.0079 0.0156 0.0006
Entamoeba histolytica carbonic anhydrase, putative 0.1595 0.719 1
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0095 0.0231 1
Leishmania major carbonic anhydrase-like protein 0.211 0.9581 1
Loa Loa (eye worm) hypothetical protein 0.0898 0.3955 0.386
Echinococcus granulosus neuropeptide receptor 0.0079 0.0156 0.0006
Onchocerca volvulus Putative sulfate transporter 0.0225 0.0835 1
Mycobacterium ulcerans transferase 0.0075 0.0137 0.0182
Echinococcus granulosus biogenic amine 5HT receptor 0.0079 0.0156 0.0006
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0095 0.0231 0.008
Onchocerca volvulus 0.0079 0.0156 0.027
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0079 0.0156 0.0006
Schistosoma mansoni hypothetical protein 0.0898 0.3955 0.4031
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0156 0.0006
Onchocerca volvulus 0.0079 0.0156 0.027
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0095 0.0231 0.0306
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1595 0.719 1
Onchocerca volvulus 0.0079 0.0156 0.027
Echinococcus granulosus g protein coupled receptor 0.0079 0.0156 0.0006
Schistosoma mansoni carbonic anhydrase-related 0.0898 0.3955 0.4031
Echinococcus granulosus neuropeptides capa receptor 0.0079 0.0156 0.0006
Echinococcus granulosus alpha 1A adrenergic receptor 0.0079 0.0156 0.0006
Schistosoma mansoni carbonic anhydrase 0.1595 0.719 0.7463
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0079 0.0156 0.0006
Echinococcus multilocularis carbonic anhydrase 0.0898 0.3955 0.4031
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.211 0.9581 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0079 0.0156 0.0006
Echinococcus granulosus carbonic anhydrase 0.0898 0.3955 0.4035
Onchocerca volvulus 0.0225 0.0835 1
Onchocerca volvulus 0.0079 0.0156 0.027
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.211 0.9581 1
Leishmania major carbonic anhydrase family protein, putative 0.1595 0.719 0.7443
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0156 0.0006
Mycobacterium leprae Probable transmembrane transport protein 0.026 0.0997 0.1386
Echinococcus granulosus G protein coupled receptor 139 0.0079 0.0156 0.0006
Onchocerca volvulus Neuropeptide F receptor homolog 0.0079 0.0156 0.027
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0095 0.0231 0.0085
Onchocerca volvulus 0.0079 0.0156 0.027
Echinococcus granulosus serotonin receptor 0.0079 0.0156 0.0006
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0898 0.3955 0.4031
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1072 0.4762 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0898 0.3955 0.4031
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0998 0.4419 0.9277
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0898 0.3955 0.386
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0079 0.0156 0.027
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0089 0.0205 0.5
Echinococcus granulosus carbonic anhydrase II 0.211 0.9581 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0079 0.0156 0.0006
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0898 0.3955 0.4031
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0077 0.0151 0.0271
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.005 0.0022 0.0031
Echinococcus granulosus neuropeptides capa receptor 0.0079 0.0156 0.0006
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.211 0.9581 1
Echinococcus granulosus tm gpcr rhodopsin 0.0079 0.0156 0.0006
Onchocerca volvulus 0.0079 0.0156 0.027
Onchocerca volvulus 0.0079 0.0156 0.027
Echinococcus granulosus sex peptide receptor 0.0079 0.0156 0.0006
Schistosoma mansoni carbonic anhydrase-related 0.0898 0.3955 0.4031
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0095 0.0231 0.008
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0156 0.0006
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0156 0.0006
Mycobacterium ulcerans carbonic anhydrase 0.1669 0.7533 1
Echinococcus multilocularis carbonic anhydrase 0.0898 0.3955 0.4031
Echinococcus granulosus 7tm_1 domain containing protein 0.0079 0.0156 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.1669 0.7533 1
Mycobacterium leprae PROBABLE TRANSFERASE 0.0075 0.0137 0.019
Echinococcus granulosus neuropeptide s receptor 0.0079 0.0156 0.0006
Schistosoma mansoni carbonic anhydrase 0.0898 0.3955 0.4031
Onchocerca volvulus 0.0079 0.0156 0.027
Echinococcus granulosus neuropeptide Y receptor 0.0079 0.0156 0.0006
Onchocerca volvulus 0.0079 0.0156 0.027
Echinococcus granulosus neuropeptide FF receptor 2 0.0079 0.0156 0.0006
Schistosoma mansoni carbonic anhydrase-related 0.0898 0.3955 0.4031
Onchocerca volvulus 0.0079 0.0156 0.027
Echinococcus granulosus fmrfamide receptor 0.0079 0.0156 0.0006
Echinococcus granulosus tm gpcr rhodopsin 0.0079 0.0156 0.0006
Echinococcus granulosus somatostatin receptor 0.0079 0.0156 0.0006
Echinococcus granulosus g-protein coupled receptor 0.0079 0.0156 0.0006
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.211 0.9581 0.9574
Echinococcus granulosus peptide allatostatin:somatostatin 0.0079 0.0156 0.0006
Echinococcus granulosus biogenic amine 5HT receptor 0.0079 0.0156 0.0006
Echinococcus granulosus carbonic anhydrase 0.0898 0.3955 0.4035
Echinococcus granulosus tachykinin peptides receptor 99D 0.0079 0.0156 0.0006
Echinococcus granulosus dro:myosuppressin receptor 0.0079 0.0156 0.0006
Echinococcus granulosus neuropeptide receptor A26 0.0079 0.0156 0.0006
Echinococcus granulosus g protein coupled receptor 0.0079 0.0156 0.0006
Onchocerca volvulus 0.0079 0.0156 0.027
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0095 0.0231 0.0321
Plasmodium falciparum carbonic anhydrase 0.0898 0.3955 1
Onchocerca volvulus 0.0079 0.0156 0.027

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.29 uM Inhibition of 5'-inosine monophosphate dehydrogenase type II (IMPDH II) ChEMBL. 12657262
IC50 (binding) = 0.29 uM Inhibition of 5'-inosine monophosphate dehydrogenase type II (IMPDH II) ChEMBL. 12657262

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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