Detailed information for compound 1420183

Basic information

Technical information
  • TDR Targets ID: 1420183
  • Name: N-cyclopentyl-2-methylimidazo[3,2-a]pyridine- 3-carboxamide
  • MW: 243.304 | Formula: C14H17N3O
  • H donors: 1 H acceptors: 2 LogP: 3.04 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c(C)nc2n1cccc2)NC1CCCC1
  • InChi: 1S/C14H17N3O/c1-10-13(14(18)16-11-6-2-3-7-11)17-9-5-4-8-12(17)15-10/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,16,18)
  • InChiKey: HYDICXCSGPQKDP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-cyclopentyl-2-methyl-imidazo[3,2-a]pyridine-3-carboxamide
  • N-cyclopentyl-2-methyl-3-imidazo[3,2-a]pyridinecarboxamide
  • Oprea1_358912
  • BAS 03045793
  • CBMicro_027253
  • AH-487/37084039
  • N-cyclopentyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
  • ZINC00289650
  • Oprea1_157542
  • MLS000688313
  • SMR000283751
  • 2-Methyl-imidazo[1,2-a]pyridine-3-carboxylic acid cyclopentylamide
  • BIM-0027207.P001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 0.5
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein 0.0342 0.3204 0.5
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0196 0.1179 0.3353
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.1128 0.2335
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.0858 0.244
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.3516 1
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.0342 0.3204 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0858 0.244
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.3516 1
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0196 0.1179 0.368
Mycobacterium ulcerans acetolactate synthase 0.0196 0.1179 0.368
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0858 0.244
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0342 0.3204 1
Mycobacterium ulcerans hypothetical protein 0.0192 0.1128 0.3519
Mycobacterium ulcerans hypothetical protein 0.0342 0.3204 1
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.0342 0.3204 0.5
Loa Loa (eye worm) ILVBL protein 0.0207 0.1337 1
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.0342 0.3204 1
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0342 0.3204 1
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0196 0.1179 0.368
Plasmodium falciparum acyl-CoA synthetase 0.0196 0.1179 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.3516 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.3516 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0196 0.1179 0.5
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.0342 0.3204 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 2.5119 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 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
Potency (binding) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 125.8925 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

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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