Detailed information for compound 1553152

Basic information

Technical information
  • TDR Targets ID: 1553152
  • Name: N-butyl-3-[(3-indazol-1-ylpropylamino)methyl] -N-methylimidazo[1,2-a]pyridine-2-carboxamide
  • MW: 418.535 | Formula: C24H30N6O
  • H donors: 1 H acceptors: 3 LogP: 3.85 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(C(=O)c1nc2n(c1CNCCCn1ncc3c1cccc3)cccc2)C
  • InChi: 1S/C24H30N6O/c1-3-4-14-28(2)24(31)23-21(29-15-8-7-12-22(29)27-23)18-25-13-9-16-30-20-11-6-5-10-19(20)17-26-30/h5-8,10-12,15,17,25H,3-4,9,13-14,16,18H2,1-2H3
  • InChiKey: OILXVQRPYDFDGQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-butyl-3-[(3-indazol-1-ylpropylamino)methyl]-N-methyl-imidazo[1,2-a]pyridine-2-carboxamide
  • N-butyl-3-[[3-(1-indazolyl)propylamino]methyl]-N-methyl-2-imidazo[1,2-a]pyridinecarboxamide
  • SMR000318680
  • MLS000733530
  • N-butyl-3-({[3-(1H-indazol-1-yl)propyl]amino}methyl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae PROBABLE ATP SYNTHASE ALPHA CHAIN ATPA 0.0044 0.6052 1
Mycobacterium leprae PROBABLE ATP SYNTHASE BETA CHAIN ATPD 0.0044 0.6052 1
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Mycobacterium ulcerans F0F1 ATP synthase subunit epsilon 0.0024 0.1063 0.1757
Mycobacterium tuberculosis Probable ATP synthase alpha chain AtpA 0.0044 0.6052 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.528 0.528
Schistosoma mansoni ATP synthase delta chain mitochondrial 0.0024 0.1063 0.1143
Mycobacterium tuberculosis Probable ATP synthase epsilon chain AtpC 0.0024 0.1063 0.1757
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit alpha 0.0044 0.6052 1
Plasmodium falciparum ATP synthase subunit delta, mitochondrial, putative 0.0024 0.1063 0.1143
Plasmodium vivax hypothetical protein, conserved 0.0024 0.1063 0.1143
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.528 0.528
Brugia malayi ATP synthase epsilon chain, mitochondrial 0.0057 0.9303 0.9303
Plasmodium falciparum ATP synthase F1, alpha subunit 0.0044 0.6052 0.6505
Schistosoma mansoni hypothetical protein 0.0057 0.9303 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Onchocerca volvulus ATP synthase subunit delta, mitochondrial homolog 0.0024 0.1063 0.1757
Plasmodium vivax ATP synthase alpha chain, putative 0.0044 0.6052 0.6505
Plasmodium vivax ATP synthase epsilon chain, mitochondrial , putative 0.0057 0.9303 1
Plasmodium falciparum mitochondrial ATP synthase F1, epsilon subunit, putative 0.0057 0.9303 1
Brugia malayi ATP synthase delta chain, mitochondrial precursor, putative 0.0024 0.1063 0.1063
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Leishmania major ATPase alpha subunit 0.0036 0.4109 1
Toxoplasma gondii atp synthase F1, epsilon subunit, putative 0.0057 0.9303 1
Onchocerca volvulus ATP synthase subunit alpha, mitochondrial homolog 0.0044 0.6052 1
Echinococcus multilocularis ATP synthase subunit delta, mitochondrial 0.0024 0.1063 0.1143
Loa Loa (eye worm) ATP synthase subunit delta 0.0024 0.1063 0.1063
Echinococcus granulosus ATP synthase subunit alpha mitochondrial 0.0044 0.6052 0.6505
Leishmania major ATPase alpha subunit 0.0036 0.4109 1
Echinococcus granulosus 5'partial|ATP synthase subunit delta mitochondrial 0.0024 0.1063 0.1143
Trypanosoma brucei ATP synthase F1, alpha subunit 0.0036 0.4109 1
Trypanosoma cruzi ATP synthase, epsilon chain, putative 0.0024 0.1063 1
Echinococcus granulosus mitochondrial F1F0 ATP synthase subunit epsilon 0.0057 0.9303 1
Leishmania major ATP synthase, epsilon chain, putative 0.0024 0.1063 0.2587
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit epsilon 0.0024 0.1063 0.1757
Mycobacterium leprae PROBABLE ATP SYNTHASE EPSILON CHAIN ATPC 0.0024 0.1063 0.1757
Brugia malayi ATP synthase alpha chain, mitochondrial precursor, putative 0.0044 0.6052 0.6052
Echinococcus multilocularis mitochondrial F1F0 ATP synthase subunit epsilon 0.0057 0.9303 1
Trypanosoma brucei mitochondrial ATP synthase delta chain 0.0024 0.1063 0.2587
Schistosoma mansoni hypothetical protein 0.0041 0.528 0.5675
Mycobacterium tuberculosis Probable ATP synthase beta chain AtpD 0.0044 0.6052 1
Trypanosoma brucei ATP synthase F1, alpha subunit 0.0036 0.4109 1
Toxoplasma gondii ATP synthase, putative 0.0024 0.1063 0.1143
Schistosoma mansoni ATP synthase alpha subunit mitochondrial 0.0044 0.6052 0.6505
Loa Loa (eye worm) ATP synthase subunit epsilon 0.0057 0.9303 0.9303
Echinococcus multilocularis ATP synthase subunit alpha, mitochondrial 0.0044 0.6052 0.6505
Mycobacterium ulcerans F0F1 ATP synthase subunit alpha 0.0044 0.6052 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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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