Detailed information for compound 871943

Basic information

Technical information
  • TDR Targets ID: 871943
  • Name: 6-methyl-N-(4-propan-2-ylphenyl)-2-pyridin-4- ylimidazo[3,2-a]pyridin-3-amine
  • MW: 342.437 | Formula: C22H22N4
  • H donors: 1 H acceptors: 2 LogP: 5.72 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2n(c1)c(Nc1ccc(cc1)C(C)C)c(n2)c1ccncc1
  • InChi: 1S/C22H22N4/c1-15(2)17-5-7-19(8-6-17)24-22-21(18-10-12-23-13-11-18)25-20-9-4-16(3)14-26(20)22/h4-15,24H,1-3H3
  • InChiKey: HCRBDNYTUYCOFE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-isopropylphenyl)-6-methyl-2-(4-pyridyl)imidazo[3,2-a]pyridin-3-amine
  • N-(4-isopropylphenyl)-6-methyl-2-(4-pyridyl)-3-imidazo[3,2-a]pyridinamine
  • (4-isopropylphenyl)-[6-methyl-2-(4-pyridyl)imidazo[3,2-a]pyridin-3-yl]amine
  • 6-methyl-N-(4-propan-2-ylphenyl)-2-pyridin-4-yl-imidazo[3,2-a]pyridin-3-amine
  • C273-0107
  • NCGC00106716-01
  • ZINC00427509

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
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
Brugia malayi hypothetical protein 0.016 0.2422 0.1148
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0473 1 0.5
Echinococcus granulosus thymidylate synthase 0.0336 0.6685 0.7334
Schistosoma mansoni dihydrofolate reductase 0.0137 0.1869 0.2796
Echinococcus multilocularis tumor protein p63 0.0408 0.8435 1
Loa Loa (eye worm) dihydrofolate reductase 0.0137 0.1869 0.2796
Echinococcus multilocularis thymidylate synthase 0.0336 0.6685 0.7334
Brugia malayi thymidylate synthase 0.0336 0.6685 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0473 1 0.5
Echinococcus granulosus tumor protein p63 0.0408 0.8435 1
Loa Loa (eye worm) thymidylate synthase 0.0336 0.6685 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0473 1 0.5
Chlamydia trachomatis dihydrofolate reductase 0.0137 0.1869 0.5
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0336 0.6685 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0336 0.6685 1
Onchocerca volvulus 0.0336 0.6685 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0336 0.6685 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0473 1 0.5
Mycobacterium tuberculosis Hypothetical protein 0.016 0.2422 0.1148
Trichomonas vaginalis conserved hypothetical protein 0.016 0.2422 0.5
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0473 1 1
Mycobacterium ulcerans thymidylate synthase 0.0336 0.6685 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.01 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1259 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) 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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