Detailed information for compound 174144

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 374.393 | Formula: C21H18N4O3
  • H donors: 1 H acceptors: 3 LogP: 4.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1nc(Nc2ccc(c(c2)OC)c2cnco2)nc(c1)c1ccccc1
  • InChi: 1S/C21H18N4O3/c1-26-18-10-15(8-9-16(18)19-12-22-13-28-19)23-21-24-17(11-20(25-21)27-2)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,23,24,25)
  • InChiKey: BAYFCNHVRYMODQ-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
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 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
Loa Loa (eye worm) IMP dehydrogenase 1 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
Schistosoma japonicum ko:K00088 IMP dehydrogenase [EC1.1.1.205], 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
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
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania donovani GMP reductase 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
Leishmania donovani 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
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
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 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
Neospora caninum hypothetical protein 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 GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 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 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
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
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Toxoplasma gondii IMP dehydrogenas 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 berghei inosine-5'-monophosphate dehydrogenase, putative 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
Trypanosoma congolense GMP reductase 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 mexicana inosine-5-monophosphate 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
Leishmania braziliensis inosine-5-monophosphate dehydrogenase 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
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
Plasmodium vivax 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
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
Trypanosoma cruzi GMP reductase 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 guanosine monophosphate reductase, putative 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
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
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 granulosus FTZ F1 nuclear receptor protein 0.0384 1 1
Brugia malayi nuclear receptor NHR-88 0.0384 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0384 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0181 0.3931 0.2987
Brugia malayi hypothetical protein 0.0181 0.3931 0.2987
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.4581 0.3738
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0181 0.3931 0.2987
Brugia malayi Nuclear hormone receptor E75 0.0181 0.3931 0.2987
Loa Loa (eye worm) nuclear receptor NHR-67 0.0181 0.3931 0.2987
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0181 0.3931 0.2987
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0089 0.1178 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0384 1 1
Brugia malayi nuclear receptor RXR 0.0203 0.4581 0.3738
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0384 1 1
Trypanosoma cruzi GMP reductase 0.0095 0.1346 0.5
Loa Loa (eye worm) hypothetical protein 0.0203 0.4581 0.3738
Schistosoma mansoni nuclear hormone receptor 0.0181 0.3931 0.2987
Brugia malayi nuclear receptor NHR-88 0.0181 0.3931 0.2987
Schistosoma mansoni thyroid hormone receptor 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0181 0.3931 0.2987
Echinococcus multilocularis acetylcholinesterase 0.0258 0.6243 0.5658
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0384 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0384 1 1
Trypanosoma cruzi GMP reductase 0.0095 0.1346 0.5
Echinococcus granulosus FTZ F1 alpha 0.0384 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0384 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0181 0.3931 0.2987
Brugia malayi conserved hypotetical protein 0.0181 0.3931 0.2987
Leishmania major inosine-5-monophosphate dehydrogenase 0.0095 0.1346 0.5
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0181 0.3931 0.2987
Brugia malayi Steroid receptor seven-up type 2 0.0384 1 1
Brugia malayi hypothetical protein 0.0181 0.3931 0.2987
Brugia malayi nuclear hormone receptor family member odr-7 0.0181 0.3931 0.2987
Loa Loa (eye worm) hypothetical protein 0.0384 1 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0095 0.1346 0.5
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0095 0.1346 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0384 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0384 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0203 0.4581 0.3738
Loa Loa (eye worm) hypothetical protein 0.0181 0.3931 0.2987
Echinococcus granulosus acetylcholinesterase 0.0258 0.6243 0.5658
Brugia malayi steroid hormone receptor 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0181 0.3931 0.2987
Loa Loa (eye worm) hypothetical protein 0.0181 0.3931 0.2987
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0181 0.3931 0.2987
Brugia malayi Carboxylesterase family protein 0.0258 0.6243 0.5658
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0181 0.3931 0.2987
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0203 0.4581 0.3738
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0095 0.1346 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0384 1 1
Echinococcus multilocularis acetylcholinesterase 0.0258 0.6243 0.5658
Echinococcus granulosus Nuclear hormone receptor HR96 0.0181 0.3931 0.2987
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0384 1 1
Brugia malayi nuclear hormone receptor 0.0384 1 1
Echinococcus granulosus carboxylesterase 5A 0.0258 0.6243 0.5658
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0095 0.1346 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0384 1 1
Brugia malayi Nuclear hormone receptor E75 0.0181 0.3931 0.2987
Toxoplasma gondii IMP dehydrogenas 0.0095 0.1346 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0384 1 1
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0089 0.1178 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0384 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0203 0.4581 0.3738
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0095 0.1346 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0384 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0181 0.3931 0.2987
Brugia malayi tailless protein 0.0181 0.3931 0.2987
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0384 1 1
Schistosoma mansoni zinc finger protein 0.0181 0.3931 0.2987
Schistosoma mansoni coup transcription factor 0.0384 1 1
Brugia malayi Carboxylesterase family protein 0.0258 0.6243 0.5658
Loa Loa (eye worm) hypothetical protein 0.0384 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0384 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0181 0.3931 0.2987
Loa Loa (eye worm) steroid hormone receptor 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0181 0.3931 0.2987
Brugia malayi Nuclear hormone receptor-like 1 0.0203 0.4581 0.3738
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0384 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0384 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0384 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0181 0.3931 0.2987
Echinococcus granulosus thyroid hormone receptor alpha 0.0181 0.3931 0.2987
Schistosoma mansoni steroid hormone receptor ad4bp 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.4581 0.3738
Loa Loa (eye worm) hypothetical protein 0.0181 0.3931 0.2987
Loa Loa (eye worm) DR-78 0.0181 0.3931 0.2987
Brugia malayi nuclear hormone receptor 0.0181 0.3931 0.2987
Loa Loa (eye worm) nuclear hormone receptor 0.0181 0.3931 0.2987
Loa Loa (eye worm) carboxylesterase 0.0258 0.6243 0.5658
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0384 1 1
Brugia malayi nuclear receptor RXR 0.0181 0.3931 0.2987
Schistosoma mansoni nuclear receptor 0.0181 0.3931 0.2987
Echinococcus multilocularis FTZ F1 alpha 0.0384 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0384 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0203 0.4581 0.3738
Onchocerca volvulus 0.0384 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0384 1 1
Echinococcus multilocularis carboxylesterase 5A 0.0258 0.6243 0.5658
Schistosoma mansoni nuclear hormone receptor 0.0181 0.3931 0.2987
Schistosoma mansoni nuclear receptor 0.0181 0.3931 0.2987
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0181 0.3931 0.2987
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0384 1 1
Schistosoma mansoni nuclear hormone receptor 0.0384 1 1
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0095 0.1346 0.5
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0095 0.1346 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0384 1 1
Leishmania major guanosine monophosphate reductase 0.0095 0.1346 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0203 0.4581 0.3738
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0095 0.1346 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0384 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0181 0.3931 0.2987
Loa Loa (eye worm) hypothetical protein 0.0384 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0384 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0384 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0384 1 1
Echinococcus granulosus acetylcholinesterase 0.0258 0.6243 0.5658
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0384 1 1
Brugia malayi hypothetical protein 0.0203 0.4581 0.3738
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0384 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0181 0.3931 0.2987
Loa Loa (eye worm) hypothetical protein 0.0258 0.6243 0.5658
Brugia malayi hypothetical protein 0.0203 0.4581 0.3738
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0181 0.3931 0.2987
Schistosoma mansoni thyroid hormone receptor 0.0384 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0384 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0203 0.4581 0.3738
Schistosoma mansoni nuclear receptor nhr-48 0.0181 0.3931 0.2987
Loa Loa (eye worm) hypothetical protein 0.0203 0.4581 0.3738
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0181 0.3931 0.2987
Loa Loa (eye worm) hypothetical protein 0.0181 0.3931 0.2987
Schistosoma mansoni RAR-like nuclear receptor 0.0384 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.4581 0.3738
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0258 0.6243 0.5658
Brugia malayi ecdysone receptor 0.0181 0.3931 0.2987
Loa Loa (eye worm) hypothetical protein 0.0258 0.6243 0.5658
Loa Loa (eye worm) acetylcholinesterase 1 0.0258 0.6243 0.5658
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0181 0.3931 0.2987
Echinococcus granulosus ecdysone induced protein 78C 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0384 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0181 0.3931 0.2987
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0181 0.3931 0.2987
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0384 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0181 0.3931 0.2987
Schistosoma mansoni retinoic acid receptor RXR 0.0384 1 1
Trypanosoma brucei GMP reductase 0.0095 0.1346 0.5
Brugia malayi orphan nuclear receptor NR2E1 0.0181 0.3931 0.2987
Brugia malayi nuclear receptor NHR-67 0.0181 0.3931 0.2987
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0384 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0181 0.3931 0.2987
Brugia malayi Nuclear hormone receptor-like 1 0.0384 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0384 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0384 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0384 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0181 0.3931 0.2987

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.11 uM Inhibition of Inosine Monophosphate Dehydrogenase II (IMPDH II) ChEMBL. 12372516
IC50 (binding) = 0.11 uM Inhibition of Inosine Monophosphate Dehydrogenase II (IMPDH II) ChEMBL. 12372516

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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