Detailed information for compound 897064

Basic information

Technical information
  • TDR Targets ID: 897064
  • Name: 2-amino-1-(3-chlorophenyl)pyrrolo[5,4-b]quino xaline-3-carbonitrile
  • MW: 319.748 | Formula: C17H10ClN5
  • H donors: 1 H acceptors: 3 LogP: 3.92 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c2nc3ccccc3nc2n(c1N)c1cccc(c1)Cl
  • InChi: 1S/C17H10ClN5/c18-10-4-3-5-11(8-10)23-16(20)12(9-19)15-17(23)22-14-7-2-1-6-13(14)21-15/h1-8H,20H2
  • InChiKey: ALMOBNZRINLJKG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-amino-1-(3-chlorophenyl)-3-pyrrolo[5,4-b]quinoxalinecarbonitrile
  • ZINC00090118
  • Oprea1_193282
  • Oprea1_085343
  • NCGC00100067-01
  • ST5164270

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.8588 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.8588 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.8588 0.5
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.8588 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0202 0.0235
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.8588 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.3388 0.3945
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.5944 0.6922
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.8588 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0202 0.0202
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.5955 0.6934
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.8588 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0202 0.0235
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.3388 0.3945
Schistosoma mansoni hypothetical protein 0.0019 0.0202 0.0235
Schistosoma mansoni hypothetical protein 0.0019 0.0202 0.0235
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2633 0.3066
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.1777 0.207
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.5944 0.6922
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2644 0.3078
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5465 0.5465
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.5944 0.6922
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0202 0.0202
Schistosoma mansoni hypothetical protein 0.0019 0.0202 0.0235
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.8588 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.8588 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2644 0.3078
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0023 0.1034 0.1204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2644 0.3078
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0202 0.0202
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.8588 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.5955 0.6934
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0202 0.0235
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.8588 0.8588
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2633 0.3066
Echinococcus granulosus GPCR family 2 0.0019 0.0202 0.0235
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.8588 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.3388 0.3945
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.5277 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2644 0.3078
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.5277 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.3311 0.3855
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0202 0.0235
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.5277 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.5277 0.6145
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.8588 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.8588 0.8588
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.5944 0.6922
Schistosoma mansoni hypothetical protein 0.0041 0.5465 0.6364
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.3311 0.3855
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.5955 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.5944 0.6922
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.4334 0.5047
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.5277 0.6145
Giardia lamblia GTOR 0.0054 0.8588 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.4055 0.4722
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2633 0.3066
Schistosoma mansoni hypothetical protein 0.0019 0.0202 0.0235
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.5277 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0202 0.0202
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.8588 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.5277 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.5277 0.6145
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0202 0.0235
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.8588 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.6699 0.78
Loa Loa (eye worm) hypothetical protein 0.0041 0.5465 0.5465

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 13.0918 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (functional) 13.0918 uM PUBCHEM_BIOASSAY: IN Cell qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID493208] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 112.2018 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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