Detailed information for compound 1403909

Basic information

Technical information
  • TDR Targets ID: 1403909
  • Name: 1H-imidazo[5,4-b]quinoxaline
  • MW: 170.171 | Formula: C9H6N4
  • H donors: 1 H acceptors: 3 LogP: 1.25 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc2c(c1)[nH]c1c(n2)ncn1
  • InChi: 1S/C9H6N4/c1-2-4-7-6(3-1)12-8-9(13-7)11-5-10-8/h1-5H,(H,10,11,12,13)
  • InChiKey: FCTIZUUFUMDWEH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000097924
  • SMR000060560
  • ZINC03111474
  • T0504-0563

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 60S ribosomal protein L21 0.0181 0.0301 0.082
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0201 0.0446 0.1215
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0223 0.0608 0.0608
Echinococcus multilocularis hyperpolarization activated cyclic 0.0201 0.0446 0.0446
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0201 0.0446 0.1336
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0602 0.334 0.334
Schistosoma mansoni voltage-gated potassium channel 0.0247 0.0778 0.2118
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0201 0.0446 0.0446
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0201 0.0446 0.1215
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0262 0.0885 0.2412
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0201 0.0446 0.0446
Loa Loa (eye worm) hypothetical protein 0.0228 0.0639 0.1912
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0247 0.0778 0.2328
Schistosoma mansoni voltage-gated potassium channel 0.0228 0.0639 0.1739
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0201 0.0446 0.1215
Schistosoma mansoni voltage-gated potassium channel 0.0648 0.3672 1
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0201 0.0446 0.0446
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0467 0.2367 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0602 0.334 0.334
Echinococcus granulosus voltage gated potassium channel 0.0247 0.0778 0.0778
Loa Loa (eye worm) hypothetical protein 0.0201 0.0446 0.1336
Echinococcus multilocularis potassium voltage gated channel protein 0.0228 0.0639 0.0639
Echinococcus granulosus hyperpolarization activated cyclic 0.0201 0.0446 0.0446
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0201 0.0446 0.1215
Echinococcus multilocularis hyperpolarization activated cyclic 0.0201 0.0446 0.0446
Echinococcus multilocularis voltage gated potassium channel 0.0247 0.0778 0.0778
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0262 0.0885 0.0885
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0247 0.0778 0.0778
Schistosoma mansoni voltage-gated potassium channel 0.0648 0.3672 1
Schistosoma mansoni voltage-gated potassium channel 0.0181 0.0301 0.082
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0201 0.0446 0.0446
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0262 0.0885 0.0885
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0602 0.334 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0201 0.0446 0.1336
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0602 0.334 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0201 0.0446 0.0446
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0228 0.0639 0.0639
Schistosoma mansoni voltage-gated potassium channel 0.0201 0.0446 0.1215
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0228 0.0639 0.1912
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0201 0.0446 0.1215
Echinococcus granulosus potassium voltage gated channel protein 0.0228 0.0639 0.0639
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0262 0.0885 0.2651
Schistosoma mansoni voltage-gated potassium channel 0.0228 0.0639 0.1739
Schistosoma mansoni voltage-gated potassium channel 0.0247 0.0778 0.2118
Loa Loa (eye worm) hypothetical protein 0.0536 0.2864 0.8574
Loa Loa (eye worm) hypothetical protein 0.0247 0.0778 0.2328
Brugia malayi Cyclic-nucleotide gated cation channel 0.0201 0.0446 0.1336
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0201 0.0446 0.0446
Echinococcus granulosus hyperpolarization activated cyclic 0.0201 0.0446 0.0446
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0467 0.2367 1
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0201 0.0446 0.0446
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0247 0.0778 0.0778

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay using Cy5 labeled peptide. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8584 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) 22.3872 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 25.1189 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] 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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