Detailed information for compound 1376917

Basic information

Technical information
  • TDR Targets ID: 1376917
  • Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmet hyl]imidazo[1,2-a]pyrimidine
  • MW: 295.362 | Formula: C15H13N5S
  • H donors: 1 H acceptors: 3 LogP: 3.42 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)nc([nH]2)SCc1cn2c(n1)nccc2
  • InChi: 1S/C15H13N5S/c1-10-3-4-12-13(7-10)19-15(18-12)21-9-11-8-20-6-2-5-16-14(20)17-11/h2-8H,9H2,1H3,(H,18,19)
  • InChiKey: MPEREQDBVOMSQV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]imidazo[1,2-a]pyrimidine
  • MLS000723261
  • SMR000236534
  • ZINC00079703
  • Oprea1_583626
  • T5468268
  • Oprea1_635328
  • EU-0045564

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
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
Loa Loa (eye worm) hypothetical protein 0.0012 0.0153 0.0153
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0153 0.0153
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0153 0.0153
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0153 0.0153
Toxoplasma gondii ATPase, AAA family protein 0.0012 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0153 0.0153
Schistosoma mansoni intermediate filament proteins 0.0033 1 1
Echinococcus multilocularis lamin 0.0033 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0153 0.0153
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0153 0.0153
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0015 0.1563 0.1563
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0012 0 0.5
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0 0.5
Onchocerca volvulus 0.0033 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.9712 0.9712
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0153 0.0153
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0153 0.0153
Trypanosoma cruzi FHA domain containing protein, putative 0.0012 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0153 0.0153
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0012 0.0153 0.0153
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0153 0.0153
Entamoeba histolytica hypothetical protein 0.0012 0 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0153 0.0153
Schistosoma mansoni lamin 0.0033 1 1
Trichomonas vaginalis replication factor C large subunit, putative 0.0012 0 0.5
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.2687 0.2687
Echinococcus granulosus lamin 0.0033 1 1
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0012 0 0.5
Brugia malayi nuclear hormone receptor 0.0012 0.0153 0.0153
Giardia lamblia Replication factor C, subunit 1 0.0012 0 0.5
Chlamydia trachomatis DNA ligase 0.0012 0 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.2687 0.2687
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0153 0.0153
Brugia malayi nuclear receptor NHR-88 0.0012 0.0153 0.0153
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0153 0.0153
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0153 0.0153
Plasmodium falciparum replication factor C subunit 1, putative 0.0012 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0153 0.0153
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0153 0.0153
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0033 1 1
Loa Loa (eye worm) intermediate filament protein 0.0033 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0153 0.0153
Schistosoma mansoni lamin 0.0033 1 1
Echinococcus granulosus intermediate filament protein 0.0033 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0153 0.0153
Brugia malayi steroid hormone receptor 0.0012 0.0153 0.0153
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0012 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0153 0.0153
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0153 0.0153
Onchocerca volvulus 0.0012 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0015 0.1563 0.1563
Loa Loa (eye worm) hypothetical protein 0.0012 0.0153 0.0153
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0153 0.0153
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0153 0.0153
Brugia malayi Intermediate filament tail domain containing protein 0.0033 1 1
Treponema pallidum DNA ligase (lig) 0.0012 0 0.5
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.1851 0.1851
Onchocerca volvulus 0.0033 1 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0153 0.0153
Echinococcus multilocularis lamin dm0 0.0033 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0153 0.0153
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0153 0.0153
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.1851 0.1851
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0012 0.0153 0.0153
Schistosoma mansoni coup transcription factor 0.0012 0.0153 0.0153
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0153 0.0153
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0153 0.0153
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0153 0.0153
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0153 0.0153
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0153 0.0153
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0012 0.0153 0.0153
Brugia malayi ecdysteroid receptor 0.0012 0.0153 0.0153
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0153 0.0153
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0153 0.0153
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0153 0.0153
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0153 0.0153
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0153 0.0153
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0016 0.1851 0.1851
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0153 0.0153
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0012 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0012 0.0153 0.0153
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 1 1
Plasmodium vivax replication factor C subunit 1, putative 0.0012 0 0.5
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0012 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0153 0.0153
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0153 0.0153
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0153 0.0153
Echinococcus multilocularis musashi 0.0033 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0153 0.0153
Echinococcus granulosus lamin dm0 0.0033 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0153 0.0153
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0153 0.0153
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0153 0.0153
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0153 0.0153
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0153 0.0153
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0153 0.0153
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0153 0.0153
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0153 0.0153
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0012 0.0153 0.0153
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0153 0.0153
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0153 0.0153

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.2213 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) = 10 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 33.8078 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 39.8107 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) 56.2341 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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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