Detailed information for compound 420810

Basic information

Technical information
  • TDR Targets ID: 420810
  • Name: 6-chloro-2-methyl-3-[1-(3-nitrophenyl)sulfony lpyrazol-3-yl]imidazo[1,2-a]pyridine
  • MW: 417.826 | Formula: C17H12ClN5O4S
  • H donors: 0 H acceptors: 6 LogP: 3.86 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2n(c1)c(c(n2)C)c1ccn(n1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]
  • InChi: 1S/C17H12ClN5O4S/c1-11-17(21-10-12(18)5-6-16(21)19-11)15-7-8-22(20-15)28(26,27)14-4-2-3-13(9-14)23(24)25/h2-10H,1H3
  • InChiKey: OGTVETDRQHQBEX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-chloro-2-methyl-3-[1-(3-nitrophenyl)sulfonyl-3-pyrazolyl]imidazo[1,2-a]pyridine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus PI3-kinase p110-alpha subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania mexicana phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Schistosoma japonicum ko:K00922 phosphatidylinositol-4,5-bisphosphate 3-kinase [EC2.7.1.153], putative Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis phosphatidylinositol kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase Get druggable targets OG5_127444 All targets in OG5_127444
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127444 All targets in OG5_127444
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127444 All targets in OG5_127444
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative Get druggable targets OG5_127444 All targets in OG5_127444
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania donovani phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K Get druggable targets OG5_127444 All targets in OG5_127444
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania infantum phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica phosphatidylinositol 3-kinase, putative PI3-kinase p110-alpha subunit   1068 aa 927 aa 29.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.1132 0.2602 0.0464
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.1132 0.2602 0.2558
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.1132 0.2602 0.0464
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0094 0.01 0.01
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.2641 0.6236 0.621
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.1132 0.2602 0.0727
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.3651 0.8669 0.866
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.4204 1 1
Leishmania major protein farnesyltransferase alpha subunit, putative 0.101 0.2306 0.3271
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.2697 0.637 0.6349
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.1132 0.2602 0.0727
Loa Loa (eye worm) hypothetical protein 0.1132 0.2602 0.2558
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0222 0.0409 0.0353
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.2697 0.637 0.6345
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.2697 0.637 0.637
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.2697 0.637 0.6349
Toxoplasma gondii hypothetical protein 0.2641 0.6236 0.9671
Trypanosoma cruzi hypothetical protein, conserved 0.101 0.2306 0.3458
Trypanosoma cruzi hypothetical protein, conserved 0.1132 0.2602 0.3933
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.4204 1 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.2697 0.637 1
Trypanosoma cruzi lanosterol synthase, putative 0.1322 0.3059 0.4669
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.101 0.2306 0.2253
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.3651 0.8669 0.866
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.2697 0.637 1
Trypanosoma brucei lanosterol synthase 0.1322 0.3059 0.1852
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.3651 0.8669 0.8661
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.1132 0.2602 0.0727
Plasmodium falciparum geranylgeranyltransferase, putative 0.1132 0.2602 0.0464
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.101 0.2306 0.1978
Plasmodium vivax conserved Plasmodium protein, unknown function 0.1564 0.3642 0.2099
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.101 0.2306 0.2261
Plasmodium falciparum protein farnesyltransferase subunit beta 0.2697 0.637 0.6387
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.101 0.2306 0.2306
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.2697 0.637 0.6345
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.1132 0.2602 0.2286
Trypanosoma cruzi hypothetical protein, conserved 0.101 0.2306 0.3458
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0118 0.0159 0.0101
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0115 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.3651 0.8669 0.8661
Giardia lamblia Rab geranylgeranyltransferase 0.3651 0.8669 1
Entamoeba histolytica hypothetical protein 0.0094 0.01 0.01
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.2697 0.637 0.6345
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.2697 0.637 0.6345
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.101 0.2306 0.3458
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.101 0.2306 0.2261
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.3651 0.8669 1
Trypanosoma brucei protein farnesyltransferase beta subunit 0.2697 0.637 1
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.1132 0.2602 0.3933
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.3651 0.8669 0.8661
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.3651 0.8669 0.8661
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.101 0.2306 0.2261
Plasmodium vivax prenyltransferase alpha subunit, putative 0.3651 0.8669 1
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.1132 0.2602 0.255
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.4204 1 1
Loa Loa (eye worm) hypothetical protein 0.1132 0.2602 0.2558
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.4204 1 1
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.4204 1 1
Schistosoma mansoni protein farnesyltransferase subunit beta 0.2697 0.637 0.6215
Giardia lamblia Prenyltransferase 0.2697 0.637 0.7345
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0118 0.0159 0.009
Trypanosoma cruzi lanosterol synthase, putative 0.1322 0.3059 0.4669
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.101 0.2306 0.2261
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.1132 0.2602 0.2558
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.101 0.2306 0.2261
Leishmania major farnesyltransferase beta subunit 0.2697 0.637 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0222 0.0409 0.0353
Trypanosoma cruzi protein farnesyltransferase, putative 0.2697 0.637 1
Plasmodium vivax geranylgeranyltransferase, putative 0.1132 0.2602 0.0464
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.4204 1 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.2697 0.637 0.6345
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.1322 0.3059 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0118 0.0159 0.009
Loa Loa (eye worm) phosphatidylinositol 3 0.0198 0.0351 0.0295
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.3651 0.8669 0.8612
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.101 0.2306 0.3458
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0118 0.0159 0.009
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.2697 0.637 0.6349
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.3651 0.8669 0.8661
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.101 0.2306 0.3458
Giardia lamblia Rab geranylgeranyltransferase 0.1132 0.2602 0.2992
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0118 0.0159 0.0159
Echinococcus granulosus protein prenyltransferase alpha subunit 0.101 0.2306 0.2261
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.3651 0.8669 0.8669
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.2697 0.637 0.6345
Onchocerca volvulus 0.101 0.2306 0.5
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.1132 0.2602 0.255
Trypanosoma cruzi hypothetical protein, conserved 0.1132 0.2602 0.3933
Plasmodium vivax farnesyltransferase beta subunit, putative 0.2697 0.637 0.6387
Giardia lamblia Rab geranylgeranyltransferase 0.101 0.2306 0.2651
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0104 0.0125 0.0067
Leishmania major geranylgeranyltransferase, putative 0.1132 0.2602 0.376
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.1132 0.2602 0.2602
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.3651 0.8669 0.866
Echinococcus granulosus protein farnesyltransferase subunit beta 0.2697 0.637 0.6349
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.4204 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0 Antiproliferative activity against human A375 cells after 46 hrs ChEMBL. 17049248
IC50 (binding) = 0.28 uM Inhibition of GST-tagged bovine PI3K p110alpha by SPA ChEMBL. 17049248
IC50 (binding) = 0.28 uM Inhibition of GST-tagged bovine PI3K p110alpha by SPA ChEMBL. 17049248

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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