Detailed information for compound 1313945

Basic information

Technical information
  • TDR Targets ID: 1313945
  • Name: [3-[(3-indazol-1-ylpropylamino)methyl]imidazo [1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
  • MW: 402.492 | Formula: C23H26N6O
  • H donors: 1 H acceptors: 3 LogP: 3.08 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1nc2n(c1CNCCCn1ncc3c1cccc3)cccc2)N1CCCC1
  • InChi: 1S/C23H26N6O/c30-23(27-12-5-6-13-27)22-20(28-14-4-3-10-21(28)26-22)17-24-11-7-15-29-19-9-2-1-8-18(19)16-25-29/h1-4,8-10,14,16,24H,5-7,11-13,15,17H2
  • InChiKey: WGJNTCYEZCXQPZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [3-[(3-indazol-1-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-yl-methanone
  • [3-[[3-(1-indazolyl)propylamino]methyl]-2-imidazo[1,2-a]pyridinyl]-1-pyrrolidinylmethanone
  • 3-(1H-indazol-1-yl)-N-{[2-(pyrrolidin-1-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}propan-1-amine
  • MLS000734568
  • SMR000316554

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
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0132 0.0222 0.0222
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0039 1
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.001 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.001 1
Trypanosoma cruzi cytochrome P450, putative 0.0074 0.0106 1
Giardia lamblia Ceramide glucosyltransferase 0.2247 0.4509 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0037 0.003 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0039 0.2984
Loa Loa (eye worm) hypothetical protein 0.0053 0.0063 0.0063
Echinococcus granulosus geminin 0.0182 0.0324 0.0324
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0039 0.0039
Schistosoma mansoni hypothetical protein 0.0182 0.0324 0.0324
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.0039 0.5
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0037 0.003 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0132 0.0222 0.0222
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0039 0.5
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0039 0.0039
Brugia malayi Cytochrome P450 family protein 0.0074 0.0106 0.0106
Trypanosoma cruzi cytochrome P450, putative 0.0074 0.0106 1
Loa Loa (eye worm) CYP4Cod1 0.0074 0.0106 0.0106
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0039 0.2984
Schistosoma mansoni lipoxygenase 0.0132 0.0222 0.0222
Echinococcus multilocularis geminin 0.0182 0.0324 0.0324
Schistosoma mansoni hypothetical protein 0.0182 0.0324 0.0324
Brugia malayi Cytochrome P450 family protein 0.0074 0.0106 0.0106
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.001 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0074 0.0106 0.0106
Schistosoma mansoni lipoxygenase 0.0092 0.0142 0.0142
Brugia malayi Inositol-1 0.0041 0.0039 0.0039
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0039 0.2984
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0039 0.2984
Trypanosoma brucei cytochrome P450, putative 0.0074 0.0106 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0074 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.0027 0.001 0.001
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0074 0.0106 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0039 0.5
Schistosoma mansoni inositol monophosphatase 0.0041 0.0039 0.0039
Loa Loa (eye worm) inositol-1 0.0041 0.0039 0.0039
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0039 0.5
Brugia malayi hypothetical protein 0.0027 0.001 0.001
Leishmania major cytochrome p450-like protein 0.0074 0.0106 1
Schistosoma mansoni inositol monophosphatase 0.0041 0.0039 0.0039
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0039 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 13.1154 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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

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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