Detailed information for compound 1854817

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 349.386 | Formula: C19H19N5O2
  • H donors: 1 H acceptors: 2 LogP: 3.19 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccc(cc1)N=Nc1c(C)[nH]n(c1=O)c1ccccc1)C(=O)C
  • InChi: 1S/C19H19N5O2/c1-13-18(19(26)24(22-13)17-7-5-4-6-8-17)21-20-15-9-11-16(12-10-15)23(3)14(2)25/h4-12,22H,1-3H3
  • InChiKey: JUCNEYVZMYFXSZ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.4125 0.5
Onchocerca volvulus 0.0155 0.3568 1
Echinococcus multilocularis transfer RNA-Phe 0.0155 0.3568 0.706
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0155 0.3568 0.706
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0155 0.3568 0.706
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0155 0.3568 0.706
Onchocerca volvulus 0.0155 0.3568 1
Echinococcus multilocularis roundabout 2 0.0155 0.3568 0.706
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0155 0.3568 0.706
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Loa Loa (eye worm) projectin 0.0155 0.3568 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0155 0.3568 1
Brugia malayi myotactin form B 0.0155 0.3568 1
Onchocerca volvulus 0.0155 0.3568 1
Echinococcus multilocularis anosmin 1 0.0155 0.3568 0.706
Loa Loa (eye worm) myotactin form A 0.0155 0.3568 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0201 0.5054 1
Schistosoma mansoni titin 0.0155 0.3568 0.706
Echinococcus granulosus fibronectin type III domain-containing protein 0.0155 0.3568 0.706
Echinococcus granulosus titin 0.0155 0.3568 0.706
Plasmodium vivax tyrosine kinase-like protein, putative 0.0046 0 0.5
Plasmodium falciparum protein kinase, putative 0.0046 0 0.5
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0155 0.3568 1
Onchocerca volvulus 0.0155 0.3568 1
Plasmodium vivax protein kinase, putative 0.0046 0 0.5
Brugia malayi hypothetical protein 0.0155 0.3568 1
Echinococcus granulosus usherin 0.0155 0.3568 0.706
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Onchocerca volvulus 0.0155 0.3568 1
Echinococcus multilocularis cell adhesion molecule 0.0155 0.3568 0.706
Brugia malayi Immunoglobulin I-set domain containing protein 0.0155 0.3568 1
Onchocerca volvulus 0.0155 0.3568 1
Schistosoma mansoni hypothetical protein 0.0155 0.3568 0.706
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0155 0.3568 1
Schistosoma mansoni protein tyrosine phosphatase 0.0155 0.3568 0.706
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Onchocerca volvulus 0.0155 0.3568 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Echinococcus granulosus Fibronectin type III 0.0155 0.3568 0.706
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0155 0.3568 0.706
Schistosoma mansoni cell adhesion molecule 0.0155 0.3568 0.706
Echinococcus multilocularis Netrin receptor DCC 0.0155 0.3568 0.706
Schistosoma mansoni nephrin 0.0155 0.3568 0.706
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Onchocerca volvulus 0.0155 0.3568 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Echinococcus granulosus Fibronectin type III domain containing protein 0.0155 0.3568 0.706
Schistosoma mansoni nephrin 0.0155 0.3568 0.706
Echinococcus granulosus Netrin receptor DCC 0.0155 0.3568 0.706
Onchocerca volvulus 0.0155 0.3568 1
Plasmodium falciparum tyrosine kinase-like protein 0.0046 0 0.5
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0155 0.3568 0.706
Toxoplasma gondii protein kinase domain-containing protein 0.0046 0 0.5
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0201 0.5054 1
Echinococcus granulosus EG95 0.0155 0.3568 0.706
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0155 0.3568 1
Leishmania major hypothetical protein, conserved 0.0155 0.3568 1
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0155 0.3568 1
Schistosoma mansoni titin 0.0155 0.3568 0.706
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Trypanosoma cruzi hypothetical protein, conserved 0.0155 0.3568 1
Schistosoma mansoni cell adhesion molecule 0.0155 0.3568 0.706
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0155 0.3568 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Onchocerca volvulus 0.0155 0.3568 1
Echinococcus multilocularis anosmin 1 0.0155 0.3568 0.706
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0155 0.3568 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Toxoplasma gondii protein kinase 0.0046 0 0.5
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0046 0 0.5
Toxoplasma gondii STE kinase 0.0046 0 0.5
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0155 0.3568 0.706
Schistosoma mansoni myosin-binding protein-related 0.0155 0.3568 0.706
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0155 0.3568 0.706
Echinococcus granulosus G1Y162 protein 0.0155 0.3568 0.706
Schistosoma mansoni tripartite motif protein trim9 0.0155 0.3568 0.706
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 1 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0046 0 0.5
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0155 0.3568 0.706
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Brugia malayi Lethal protein 805 0.0155 0.3568 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0155 0.3568 0.706
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0155 0.3568 0.706
Echinococcus granulosus neuroglian 0.0155 0.3568 0.706
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0155 0.3568 0.706
Brugia malayi Fibronectin type III domain containing protein 0.0155 0.3568 1
Schistosoma mansoni titin 0.0155 0.3568 0.706
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 1 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0155 0.3568 0.706
Echinococcus granulosus nephrin 0.0155 0.3568 0.706
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Brugia malayi Fibronectin type III domain containing protein 0.0155 0.3568 1
Echinococcus multilocularis usherin 0.0155 0.3568 0.706
Loa Loa (eye worm) CAMK protein kinase 0.0155 0.3568 1
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0155 0.3568 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0155 0.3568 1
Schistosoma mansoni neuroglian 0.0155 0.3568 0.706
Echinococcus multilocularis titin 0.0155 0.3568 0.706
Echinococcus granulosus roundabout 2 0.0155 0.3568 0.706
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0046 0 0.5
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0155 0.3568 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0155 0.3568 0.706
Echinococcus granulosus Netrin receptor DCC 0.0155 0.3568 0.706
Brugia malayi myotactin form A 0.0155 0.3568 1
Onchocerca volvulus 0.0155 0.3568 1
Echinococcus multilocularis Phosphotidylinositol phosphatase PTPRQ 0.0155 0.3568 0.706
Brugia malayi Immunoglobulin I-set domain containing protein 0.0155 0.3568 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0155 0.3568 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Echinococcus granulosus roundabout 2 0.0155 0.3568 0.706
Schistosoma mansoni hypothetical protein 0.0155 0.3568 0.706
Echinococcus multilocularis anosmin 1 0.0155 0.3568 0.706
Echinococcus multilocularis neuroglian 0.0155 0.3568 0.706
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Schistosoma mansoni hemicentin 0.0155 0.3568 0.706
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0155 0.3568 1
Loa Loa (eye worm) lethal protein 805 0.0155 0.3568 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0155 0.3568 1
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0155 0.3568 0.706
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Plasmodium falciparum protein kinase, putative 0.0046 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Schistosoma mansoni factor for adipocyte differentiation 0.0155 0.3568 0.706
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.4125 0.5
Echinococcus granulosus anosmin 1 0.0155 0.3568 0.706
Trypanosoma brucei Fibronectin type III domain containing protein, putative 0.0155 0.3568 1
Echinococcus multilocularis roundabout 2 0.0155 0.3568 0.706
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Plasmodium falciparum tyrosine kinase-like protein 0.0046 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Echinococcus multilocularis titin 0.0155 0.3568 0.706
Echinococcus granulosus contactin 0.0155 0.3568 0.706
Brugia malayi Fibronectin type III domain containing protein 0.0155 0.3568 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Plasmodium vivax tyrosine kinase-like protein, putative 0.0046 0 0.5
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0155 0.3568 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0155 0.3568 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Echinococcus multilocularis Fibronectin, type III 0.0155 0.3568 0.706
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0155 0.3568 0.706
Brugia malayi Immunoglobulin I-set domain containing protein 0.0155 0.3568 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0155 0.3568 1
Echinococcus multilocularis Netrin receptor DCC 0.0155 0.3568 0.706
Brugia malayi Immunoglobulin I-set domain containing protein 0.0155 0.3568 1
Brugia malayi protein unc-22 0.0155 0.3568 1
Echinococcus granulosus roundabout 2 0.0155 0.3568 0.706
Brugia malayi Lethal protein 805 0.0155 0.3568 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0155 0.3568 0.706
Brugia malayi Immunoglobulin I-set domain containing protein 0.0155 0.3568 1
Brugia malayi hypothetical protein 0.0155 0.3568 1
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0155 0.3568 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.4125 0.5
Onchocerca volvulus 0.0155 0.3568 1
Echinococcus granulosus cell adhesion molecule 0.0155 0.3568 0.706
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0155 0.3568 1
Schistosoma mansoni factor for adipocyte differentiation 0.0155 0.3568 0.706
Loa Loa (eye worm) UNCoordinated family member 0.0155 0.3568 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0155 0.3568 1
Brugia malayi Protein-tyrosine phosphatase 0.0155 0.3568 1
Onchocerca volvulus 0.0155 0.3568 1
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0155 0.3568 0.706
Schistosoma mansoni cell adhesion molecule 0.0155 0.3568 0.706
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Echinococcus granulosus anosmin 1 0.0155 0.3568 0.706
Echinococcus granulosus titin 0.0155 0.3568 0.706
Schistosoma mansoni hypothetical protein 0.0155 0.3568 0.706
Brugia malayi Immunoglobulin I-set domain containing protein 0.0155 0.3568 1
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0155 0.3568 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0155 0.3568 0.706
Brugia malayi Fibronectin type III domain containing protein 0.0155 0.3568 1
Brugia malayi Fibronectin type III domain containing protein 0.0155 0.3568 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0155 0.3568 1
Onchocerca volvulus 0.0155 0.3568 1
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0155 0.3568 0.706
Echinococcus multilocularis roundabout 2 0.0155 0.3568 0.706
Treponema pallidum fructose-bisphosphate aldolase 0.0353 1 0.5
Schistosoma mansoni cell adhesion molecule 0.0155 0.3568 0.706
Schistosoma mansoni cell adhesion molecule 0.0155 0.3568 0.706
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0155 0.3568 0.706
Echinococcus multilocularis Fibronectin type III domain containing protein 0.0155 0.3568 0.706
Schistosoma mansoni factor for adipocyte differentiation 0.0155 0.3568 0.706
Echinococcus multilocularis fibronectin type III domain-containing protein 0.0155 0.3568 0.706
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.3568 1
Brugia malayi Fibronectin type III domain containing protein 0.0155 0.3568 1
Echinococcus granulosus anosmin 1 0.0155 0.3568 0.706
Schistosoma mansoni ephrin receptor 0.0201 0.5054 1
Plasmodium falciparum protein kinase, putative 0.0046 0 0.5
Brugia malayi SPRY domain containing protein 0.0155 0.3568 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0155 0.3568 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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