Detailed information for compound 1250443

Basic information

Technical information
  • TDR Targets ID: 1250443
  • Name: STK301193
  • MW: 404.419 | Formula: C22H20N4O4
  • H donors: 0 H acceptors: 5 LogP: 2.64 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(N(C(=O)CN1C(=O)c2c(C1=O)cccc2)Cc1onc(n1)c1ccccc1)C
  • InChi: 1S/C22H20N4O4/c1-14(2)25(12-18-23-20(24-30-18)15-8-4-3-5-9-15)19(27)13-26-21(28)16-10-6-7-11-17(16)22(26)29/h3-11,14H,12-13H2,1-2H3
  • InChiKey: BRKANFBPIKCYDZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC01124336
  • 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-isopropyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
  • MLS000064908
  • SMR000077912

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.1677 1
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.1677 0.5
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.1381 0.2203
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.3281 0.8342
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.4029 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.1677 0.2675
Plasmodium falciparum glutathione reductase 0.0046 0.1099 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1099 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.2902 0.7203
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1306 0.3242
Plasmodium falciparum thioredoxin reductase 0.0046 0.1099 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.1677 0.4162
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.1677 1
Brugia malayi glutathione reductase 0.0046 0.1099 0.2727
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.4029 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.2902 0.4628
Loa Loa (eye worm) RNA binding protein 0.0125 0.4029 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.1677 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.1381 0.3429
Loa Loa (eye worm) hypothetical protein 0.0047 0.114 0.2829
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.1677 1
Onchocerca volvulus 0.0047 0.114 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.2902 0.4628
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.114 0.114
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.3281 0.8342
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.114 0.1818
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1677 0.5
Brugia malayi mbt repeat family protein 0.0047 0.114 0.2829
Echinococcus multilocularis tar DNA binding protein 0.0125 0.4029 0.6426
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.114 0.5
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.1381 0.1381
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.3714 1
Brugia malayi RNA binding protein 0.0125 0.4029 1
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.114 0.1818
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.114 0.2829
Brugia malayi mbt repeat family protein 0.0047 0.114 0.2829
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.114 0.1818
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.1677 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.3714 1
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4029 0.4029
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.1677 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1306 0.3242
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.1677 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.1381 0.2203
Loa Loa (eye worm) hypothetical protein 0.0052 0.1306 0.3242
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2902 0.2902
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.1677 0.2675
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4029 0.4029
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.114 0.114
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.3714 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.2902 0.7203
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.2902 0.4628
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.3281 0.8342
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4029 0.4029
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1677 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1099 0.1752
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.1677 0.1677
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.114 0.114
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.1381 0.2203
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.3714 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1306 0.3242
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2902 0.2902
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.3281 0.8342
Mycobacterium tuberculosis Probable reductase 0.0105 0.3281 0.8342
Brugia malayi MAP kinase sur-1 0.0062 0.1677 0.4162
Loa Loa (eye worm) TAR-binding protein 0.0125 0.4029 1
Plasmodium vivax glutathione reductase, putative 0.0046 0.1099 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1677 0.5
Loa Loa (eye worm) glutathione reductase 0.0046 0.1099 0.2727
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2902 0.2902
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.114 0.1818
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0185 0.627 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1381 0.3429
Schistosoma mansoni hypothetical protein 0.0035 0.0702 0.0702
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.2902 0.4628
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4029 0.4029
Brugia malayi Thioredoxin reductase 0.0046 0.1099 0.2727
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.1677 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0185 0.627 1
Echinococcus granulosus tar DNA binding protein 0.0125 0.4029 0.6426
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.3281 0.8342
Loa Loa (eye worm) hypothetical protein 0.0035 0.0702 0.1741
Loa Loa (eye worm) MBCTL1 0.0054 0.1381 0.3429
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.1677 0.2675
Trypanosoma brucei protein kinase, putative 0.0062 0.1677 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.1381 0.2203
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1099 0.2727
Brugia malayi TAR-binding protein 0.0125 0.4029 1
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4029 0.4029
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0702 0.1741
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1677 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1099 0.1752
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.1677 0.2675

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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