Detailed information for compound 433086

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.342 | Formula: C18H14N6O4
  • H donors: 6 H acceptors: 8 LogP: 1.03 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 2
  • SMILES: Nc1nc(N)c2c(n1)nc(c(n2)c1ccc(c(c1)O)O)c1ccc(c(c1)O)O
  • InChi: 1S/C18H14N6O4/c19-16-15-17(24-18(20)23-16)22-14(8-2-4-10(26)12(28)6-8)13(21-15)7-1-3-9(25)11(27)5-7/h1-6,25-28H,(H4,19,20,22,23,24)
  • InChiKey: UALXDORCKXAHJH-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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 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
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, 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
Entamoeba histolytica phosphatidylinositol 3-kinase 1, 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
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 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
Leishmania infantum phosphatidylinositol 3-kinase 2, putative 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
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 hypothetical protein 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
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
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, 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
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, 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
Trichomonas vaginalis phosphatidylinositol 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
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0138 0.0632
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0107 0.0201 0.264
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.2896 1 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0181 0.0459 0.0435
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0206 0.0547 0.1555
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0206 0.0547 1
Schistosoma mansoni hypothetical protein 0.0088 0.0133 0.0604
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0152 0.0357 0.6364
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0138 0.0113
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0206 0.0547 0.0523
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0154 0.0364 0.034
Giardia lamblia GTOR 0.0206 0.0547 1
Echinococcus multilocularis microtubule associated protein 2 0.0564 0.1806 0.1786
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0136 0.0303 0.5322
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0206 0.0547 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0138 0.0113
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0075 0.0087 0.0185
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0206 0.0547 1
Schistosoma mansoni fkbp-rapamycin associated protein 0.0118 0.0238 0.1195
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0136 0.0303 0.5322
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Echinococcus granulosus serine protein kinase ATM 0.0118 0.0238 0.0213
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0131 0.0283 0.0259
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0138 0.0113
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0238 0.4081
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0206 0.0547 0.1488
Loa Loa (eye worm) hypothetical protein 0.0131 0.0284 0.5191
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0238 0.4081
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0086 0.0127 0.1953
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0206 0.0547 0.0523
Loa Loa (eye worm) hypothetical protein 0.0088 0.0133 0.2431
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0118 0.0238 0.1195
Toxoplasma gondii FATC domain-containing protein 0.0118 0.0238 0.4081
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0206 0.0547 0.1488
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0238 0.4081
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0206 0.0547 0.0523
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0238 0.4081
Loa Loa (eye worm) hypothetical protein 0.0075 0.0087 0.1597
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0206 0.0547 0.2928
Entamoeba histolytica hypothetical protein 0.0118 0.0238 0.4081
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0086 0.0127 0.1953
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Echinococcus granulosus microtubule associated protein 2 0.0564 0.1806 0.1786
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0086 0.0127 0.0572
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0087 0.1187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0086 0.0127 0.199
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0206 0.0547 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0102 0.0182 0.2995
Echinococcus multilocularis serine protein kinase ATM 0.0118 0.0238 0.0213
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0154 0.0364 0.034
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0181 0.0459 0.8317
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0088 0.0133 0.0108
Schistosoma mansoni microtubule-associated protein tau 0.0564 0.1806 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0086 0.0127 0.1953
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0206 0.0547 0.1555
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0118 0.0238 0.0635
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0206 0.0547 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0138 0.0308 0.5422
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0206 0.0547 0.1488
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0131 0.0284 0.4956
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0057 0.0025 0.5
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0088 0.0133 0.0108
Trypanosoma cruzi target of rapamycin kinase 3 0.0206 0.0547 0.1555
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0057 0.0025 0.0465
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0181 0.0459 0.8317
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0118 0.0238 0.4108
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0181 0.0459 0.0435
Entamoeba histolytica protein kinase rad3, putative 0.0118 0.0238 0.4081
Loa Loa (eye worm) phosphatidylinositol 3 0.0206 0.0547 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0118 0.0238 0.4081
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0206 0.0547 0.1555
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0138 0.0632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0181 0.0459 0.1294
Schistosoma mansoni hypothetical protein 0.0237 0.0657 0.3547
Trichomonas vaginalis conserved hypothetical protein 0.0088 0.0133 0.2061
Trypanosoma cruzi hypothetical protein, conserved 0.1011 0.3378 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0238 0.4081
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0206 0.0547 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0118 0.0238 0.4081
Loa Loa (eye worm) hypothetical protein 0.0057 0.0023 0.0422
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0181 0.0459 0.8325
Brugia malayi FAT domain containing protein 0.0088 0.0133 0.2098
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0057 0.0025 0.5
Leishmania major hypothetical protein, conserved 0.1054 0.3529 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.0238 0.4357
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0086 0.0127 0.1953
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0206 0.0547 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0152 0.0357 0.6533
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0118 0.0238 0.0213
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0138 0.0632
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0138 0.0113
Loa Loa (eye worm) hypothetical protein 0.0131 0.0283 0.5183
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0023 0.0422
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0086 0.0127 0.1953
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0238 0.4081
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0206 0.0547 0.1555
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Trichomonas vaginalis conserved hypothetical protein 0.0131 0.0284 0.4956
Entamoeba histolytica hypothetical protein 0.0152 0.0357 0.6364
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0206 0.0547 0.1488
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0206 0.0547 0.0523
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0206 0.0547 0.1488
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0118 0.0238 0.0635
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0131 0.0283 0.4971
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0181 0.0459 0.8317
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0181 0.0459 0.2435
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0238 0.4081
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.0138 0.2524
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.0138 0.2195
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0206 0.0547 0.2928
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0131 0.0283 0.0259
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0131 0.0284 0.4956
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0206 0.0547 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0057 0.0025 0.0046
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0087 0.1187
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0086 0.0127 0.1953
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0206 0.0547 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0131 0.0284 0.4956
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0086 0.0127 0.0304
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0206 0.0547 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0238 0.4081
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0181 0.0459 0.1294
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0118 0.0238 0.4108
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0118 0.0238 0.0213
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0181 0.0459 0.8317
Toxoplasma gondii target of rapamycin (TOR), putative 0.0206 0.0547 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0547 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.273 uM Inhibition of recombinant PI3Kgamma ChEMBL. 17685602
IC50 (binding) = 0.273 uM Inhibition of recombinant PI3Kgamma ChEMBL. 17685602
IC50 (binding) = 0.968 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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