Detailed information for compound 433169

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 255.232 | Formula: C12H9N5O2
  • H donors: 3 H acceptors: 6 LogP: 0.43 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1O)c1cnc2c(n1)ncnc2N
  • InChi: 1S/C12H9N5O2/c13-11-10-12(16-5-15-11)17-7(4-14-10)6-1-2-8(18)9(19)3-6/h1-5,18-19H,(H2,13,15,16,17)
  • InChiKey: XBUHCGAFDXGUFA-UHFFFAOYSA-N  

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 phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit gamma 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
Loa Loa (eye worm) hypothetical protein 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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 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
Trichomonas vaginalis phosphatidylinositol 3-kinase class, 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
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 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
Entamoeba histolytica phosphatidylinositol 3-kinase, 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
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 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
Leishmania mexicana phosphatidylinositol 3-kinase, 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
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
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, 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
Entamoeba histolytica hypothetical protein 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
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444

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
Trypanosoma cruzi cruzipain precursor, putative 0.0079 0.1689 0.1365
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0047 0.0533 0.0163
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0301 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.1689 0.1368
Echinococcus granulosus cathepsin b 0.0301 1 1
Plasmodium falciparum proteasome subunit beta type-5 0.0292 0.9654 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0079 0.1689 0.1368
Brugia malayi Cathepsin L-like precursor 0.0055 0.0829 0.042
Echinococcus granulosus cathepsin l1 0.0079 0.1689 0.1319
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0079 0.1689 0.1368
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0142 0.4053 0.3821
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0142 0.4053 0.3788
Onchocerca volvulus 0.0079 0.1689 1
Schistosoma mansoni cathepsin F (C01 family) 0.0079 0.1689 0.1319
Giardia lamblia Cathepsin B precursor 0.0108 0.2793 0.2893
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0079 0.1689 0.1368
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0292 0.9654 1
Brugia malayi Papain family cysteine protease containing protein 0.0079 0.1689 0.1319
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0142 0.4053 0.393
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.1689 0.1368
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0047 0.0533 0.011
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0079 0.1689 0.1368
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0138 0.3897 0.376
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0292 0.9654 0.9638
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0292 0.9654 0.964
Entamoeba histolytica cysteine proteinase, putative 0.0079 0.1689 0.1368
Schistosoma mansoni cathepsin F (C01 family) 0.0079 0.1689 0.1319
Brugia malayi Cathepsin L-like precursor 0.0055 0.0829 0.042
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0292 0.9654 1
Entamoeba histolytica cysteine proteinase, putative 0.0079 0.1689 0.1368
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0079 0.1689 0.1368
Onchocerca volvulus 0.0079 0.1689 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.1689 0.1368
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0079 0.1689 0.1368
Loa Loa (eye worm) ctsf protein 0.0079 0.1689 0.1365
Echinococcus multilocularis cathepsin L cysteine protease 0.0079 0.1689 0.1319
Schistosoma mansoni cathepsin F (C01 family) 0.0055 0.0829 0.042
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0301 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0113 0.2973 0.2759
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0108 0.2793 0.1386
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0045 0.0427 0.0053
Entamoeba histolytica hypothetical protein 0.0113 0.2973 0.2759
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.1689 0.1368
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0092 0.2189 0.1841
Plasmodium falciparum cysteine proteinase falcipain 3 0.0079 0.1689 0.1368
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0142 0.4053 0.393
Mycobacterium ulcerans proteasome PrcB 0.0292 0.9654 0.5
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0292 0.9654 0.964
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0063 0.1109 0.0739
Onchocerca volvulus 0.0079 0.1689 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0292 0.9654 1
Echinococcus granulosus proteasome prosome macropain 0.0292 0.9654 0.9638
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0292 0.9654 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0079 0.1689 0.1368
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.1689 0.1368
Loa Loa (eye worm) fibroinase 0.0079 0.1689 0.1365
Loa Loa (eye worm) cathepsin B 0.0108 0.2793 0.2512
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0301 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0301 1 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0142 0.4053 0.3788
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0079 0.1689 0.1368
Loa Loa (eye worm) hypothetical protein 0.005 0.0627 0.0261
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0079 0.1689 0.1368
Plasmodium vivax vivapain-2 0.0079 0.1689 0.1368
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.1689 0.1368
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0047 0.0533 0.0115
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0047 0.0533 0.011
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0092 0.2189 0.1841
Entamoeba histolytica cysteine proteinase, putative 0.0055 0.0829 0.0435
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0079 0.1689 0.1368
Brugia malayi Proteasome A-type and B-type family protein 0.0292 0.9654 0.9638
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0092 0.2189 0.1841
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0097 0.2396 0.2135
Echinococcus granulosus cathepsin l cysteine peptidase 0.0079 0.1689 0.1319
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0142 0.4053 0.393
Trypanosoma brucei cysteine peptidase C (CPC) 0.0108 0.2793 0.2564
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0079 0.1689 0.1368
Echinococcus granulosus cathepsin l1 0.0055 0.0829 0.042
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0142 0.4053 0.3788
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0079 0.1689 0.1319
Brugia malayi Cathepsin L-like precursor 0.0079 0.1689 0.1319
Onchocerca volvulus Cathepsin L homolog 0.0079 0.1689 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0079 0.1689 0.1368
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0079 0.1689 0.1368
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0292 0.9654 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0079 0.1689 0.1368
Loa Loa (eye worm) hypothetical protein 0.0055 0.0829 0.047
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0047 0.0533 0.0115
Echinococcus granulosus cathepsin b 0.0301 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0079 0.1689 0.1368
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0079 0.1689 0.1368
Trypanosoma cruzi cysteine peptidase, putative 0.0045 0.0427 0.0053
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0079 0.1689 0.1368
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0829 0.0435
Brugia malayi cathepsin L-like precursor 0.0055 0.0829 0.042
Brugia malayi Cathepsin L-like precursor 0.0079 0.1689 0.1319
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.1689 0.1368
Echinococcus multilocularis cathepsin b 0.0301 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0079 0.1689 0.1365
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0292 0.9654 0.964
Trypanosoma cruzi cysteine peptidase, putative 0.0079 0.1689 0.1365
Onchocerca volvulus 0.0079 0.1689 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0079 0.1689 0.1365
Loa Loa (eye worm) hypothetical protein 0.0301 1 1
Echinococcus multilocularis cathepsin b 0.0301 1 1
Trypanosoma cruzi cysteine proteinase, putative 0.0045 0.0427 0.0053
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0292 0.9654 1
Toxoplasma gondii cathepsin B 0.0108 0.2793 0.1386
Echinococcus multilocularis cysteine protease 0.0079 0.1689 0.1319
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0108 0.2793 0.2564
Entamoeba histolytica cysteine protease, putative 0.0079 0.1689 0.1368
Giardia lamblia Cathepsin B precursor 0.0108 0.2793 0.2893
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.1689 0.1368
Loa Loa (eye worm) phosphatidylinositol 3 0.0113 0.2973 0.2698
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0047 0.0533 0.0115
Loa Loa (eye worm) hypothetical protein 0.0092 0.2189 0.1884
Echinococcus multilocularis proteasome (prosome, macropain) 0.0292 0.9654 0.9638
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0142 0.4053 0.3821
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0079 0.1689 0.1368
Echinococcus multilocularis cysteine protease 0.0079 0.1689 0.1319
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0292 0.9654 0.5
Trypanosoma cruzi cysteine proteinase, putative 0.0045 0.0427 0.0053
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0047 0.0533 0.0115
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0079 0.1689 0.1368
Plasmodium vivax vivapain-2 0.0079 0.1689 0.1368
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.1689 0.1368
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0079 0.1689 0.1319
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0047 0.0533 0.0115
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0079 0.1689 0.1368
Plasmodium vivax proteasome subunit beta type-5, putative 0.0292 0.9654 1
Brugia malayi Cathepsin L-like precursor 0.0079 0.1689 0.1319
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.1689 0.1368
Onchocerca volvulus Cathepsin L homolog 0.0079 0.1689 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0079 0.1689 0.1319
Trypanosoma cruzi cysteine protease, putative 0.0045 0.0427 0.0053
Trypanosoma cruzi cysteine peptidase, putative 0.0079 0.1689 0.1365
Brugia malayi Cathepsin L-like precursor 0.0079 0.1689 0.1319
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.1689 0.1368
Trypanosoma cruzi cysteine peptidase, putative 0.0079 0.1689 0.1365
Onchocerca volvulus 0.0079 0.1689 1
Giardia lamblia Cathepsin B precursor 0.0108 0.2793 0.2893
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0068 0.1316 0.1363
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0079 0.1689 0.1368
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0079 0.1689 0.1368
Echinococcus multilocularis cathepsin L cysteine protease 0.0079 0.1689 0.1319
Trypanosoma cruzi cysteine peptidase, putative 0.0079 0.1689 0.1365
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0108 0.2793 0.2512
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0047 0.0533 0.0115
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0829 0.0435
Onchocerca volvulus 0.0079 0.1689 1
Leishmania major proteasome beta 5 subunit, putative 0.0292 0.9654 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0097 0.2396 0.2135
Brugia malayi Cathepsin L-like precursor 0.0079 0.1689 0.1319
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.1689 0.1368
Loa Loa (eye worm) hypothetical protein 0.0055 0.0829 0.047
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0142 0.4053 0.3788
Onchocerca volvulus 0.0079 0.1689 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0301 1 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0829 0.047
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0108 0.2793 0.2472
Brugia malayi Cathepsin L-like precursor 0.0079 0.1689 0.1319
Brugia malayi Cathepsin L-like cysteine proteinase 0.0055 0.0829 0.042
Loa Loa (eye worm) cysteine protease 0.0079 0.1689 0.1365
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.1689 0.1368
Onchocerca volvulus Cathepsin F homolog 0.0079 0.1689 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0142 0.4053 0.393
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0055 0.0829 0.047
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0079 0.1689 0.1368
Loa Loa (eye worm) hypothetical protein 0.0079 0.1689 0.1365
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0079 0.1689 0.1368
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.1689 0.1368

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.1 uM Inhibition of recombinant PI3Kgamma ChEMBL. 17685602
IC50 (binding) = 5.1 uM Inhibition of recombinant PI3Kgamma ChEMBL. 17685602

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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