Detailed information for compound 100960

Basic information

Technical information
  • TDR Targets ID: 100960
  • Name: N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phe nyl-1,3-oxazol-2-amine
  • MW: 333.341 | Formula: C19H15N3O3
  • H donors: 1 H acceptors: 2 LogP: 3.92 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1c1cnco1)Nc1ncc(o1)c1ccccc1
  • InChi: 1S/C19H15N3O3/c1-23-16-9-14(7-8-15(16)18-10-20-12-24-18)22-19-21-11-17(25-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,22)
  • InChiKey: JKVQXQHNRLDGAM-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(3-methoxy-4-oxazol-5-yl-phenyl)-5-phenyl-oxazol-2-amine
  • N-[3-methoxy-4-(5-oxazolyl)phenyl]-5-phenyl-2-oxazolamine
  • (3-methoxy-4-oxazol-5-yl-phenyl)-(5-phenyloxazol-2-yl)amine
  • (3-Methoxy-4-(1,3-oxazol-5-yl)phenyl)(5-phenyl(1,3-oxazol-2-yl))amine
  • AIDS-155236
  • AIDS155236

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
Plasmodium knowlesi inosine-5'-monophosphate dehydrogenase, 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
Plasmodium berghei 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
Theileria parva Inosine-5'-monophosphate dehydrogenase, putative 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 donovani GMP reductase 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 guanosine nucleotide biosynthesis Get druggable targets OG5_126887 All targets in OG5_126887
Neospora caninum hypothetical protein 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
Trypanosoma brucei gambiense inosine-5-monophosphate dehydrogenase,IMP dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma congolense GMP 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
Trypanosoma cruzi 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
Leishmania braziliensis guanosine monophosphate reductase, 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
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
Leishmania mexicana 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
Leishmania infantum 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
Candida albicans N terminus of 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
Candida albicans guanosine nucleotide biosynthesis 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
Leishmania mexicana guanosine monophosphate 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
Trypanosoma brucei gambiense 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
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 brucei GMP reductase 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
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
Schistosoma japonicum ko:K00088 IMP dehydrogenase [EC1.1.1.205], 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 infantum guanosine monophosphate reductase, 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
Cryptosporidium hominis 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
Loa Loa (eye worm) IMP dehydrogenase 1 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
Plasmodium vivax 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
Babesia bovis inosine-5'-monophosphate dehydrogenase, putative 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
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0089 0.2753 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0063 0.1103 0.1025
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0095 0.3104 0.4144
Leishmania major guanosine monophosphate reductase 0.0095 0.3104 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.1103 0.1961
Schistosoma mansoni hypothetical protein 0.0063 0.1103 0.1395
Leishmania major inosine-5-monophosphate dehydrogenase 0.0095 0.3104 0.5
Onchocerca volvulus Alhambra homolog 0.0063 0.1103 0.5
Trypanosoma brucei GMP reductase 0.0095 0.3104 0.5
Trypanosoma cruzi GMP reductase 0.0095 0.3104 0.5
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0095 0.3104 0.3044
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0095 0.3104 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0076 0.1925 0.2525
Echinococcus multilocularis PHD finger protein rhinoceros 0.0063 0.1103 0.1025
Echinococcus granulosus lysine specific demethylase 5A 0.0076 0.1925 0.1855
Echinococcus granulosus jumonji domain containing protein 0.0087 0.2634 0.257
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0095 0.3104 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0076 0.1925 0.2525
Echinococcus granulosus peregrin 0.0063 0.1103 0.1025
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.005 0.0296 0.0954
Echinococcus multilocularis jumonji domain containing protein 0.0087 0.2634 0.257
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0095 0.3104 0.5
Brugia malayi Bromodomain containing protein 0.0063 0.1103 0.1025
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0095 0.3104 0.5
Brugia malayi jmjC domain containing protein 0.0076 0.1925 0.1855
Echinococcus multilocularis lysine specific demethylase 5A 0.0076 0.1925 0.1855
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0089 0.2753 1
Trypanosoma cruzi GMP reductase 0.0095 0.3104 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0205 1 1
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0095 0.3104 0.3044
Loa Loa (eye worm) jmjC domain-containing protein 0.0076 0.1925 0.3549
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0205 1 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0095 0.3104 0.5
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0095 0.3104 0.3044
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0095 0.3104 0.5
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0095 0.3104 1
Schistosoma mansoni jumonji domain containing protein 0.0163 0.7368 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0129 0.5267 1
Loa Loa (eye worm) PHD-finger family protein 0.0063 0.1103 0.1961
Loa Loa (eye worm) hypothetical protein 0.0107 0.3896 0.7355
Brugia malayi PHD-finger family protein 0.0063 0.1103 0.1025
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0095 0.3104 0.5
Echinococcus multilocularis peregrin 0.0063 0.1103 0.1025
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0089 0.2753 0.8869
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0063 0.1103 0.1395
Giardia lamblia PHD finger protein 15 0.0063 0.1103 0.5
Toxoplasma gondii IMP dehydrogenas 0.0095 0.3104 1
Loa Loa (eye worm) IMP dehydrogenase 1 0.0095 0.3104 0.5825

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 16 nM Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme ChEMBL. 14505670
IC50 (binding) = 16 nM Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme ChEMBL. 14505670
IC50 (binding) = 20 nM Inhibition of human inosine-5'-monophosphate dehydrogenase 2 ChEMBL. 12014950
IC50 (binding) = 20 nM Inhibition of human inosine-5'-monophosphate dehydrogenase 2 ChEMBL. 12014950
IC50 (binding) = 0.02 uM Inhibition of Inosine Monophosphate Dehydrogenase II (IMPDH II) ChEMBL. 12372516
IC50 (binding) = 0.02 uM Inhibition of inosine-5'-monophosphate dehydrogenase 2. ChEMBL. 12781195
IC50 (binding) = 0.02 uM Inhibition of Inosine Monophosphate Dehydrogenase II (IMPDH II) ChEMBL. 12372516
IC50 (binding) = 0.02 uM Inhibition of inosine-5'-monophosphate dehydrogenase 2. ChEMBL. 12781195
IC50 (functional) = 7 uM In vitro secondary T-cell (CEM) proliferation assay ChEMBL. 12014950
IC50 (functional) = 7 uM In vitro secondary T-cell (CEM) proliferation assay ChEMBL. 12014950
IC50 (functional) > 10 uM Inhibition of CEM cell proliferation. ChEMBL. 12781195
IC50 (functional) > 10 uM Inhibition of CEM cell proliferation. ChEMBL. 12781195

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12014950

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

4 literature references were collected for this gene.

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