Detailed information for compound 1423237

Basic information

Technical information
  • TDR Targets ID: 1423237
  • Name: 2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[ 1,2-a]pyridine hydrochloride
  • MW: 248.751 | Formula: C14H17ClN2
  • H donors: 0 H acceptors: 1 LogP: 3.56 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)c1nc2n(c1)CCCC2.Cl
  • InChi: 1S/C14H16N2.ClH/c1-11-5-7-12(8-6-11)13-10-16-9-3-2-4-14(16)15-13;/h5-8,10H,2-4,9H2,1H3;1H
  • InChiKey: BCJBFAHAMCWLQO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(p-tolyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine hydrochloride
  • MLS000078988
  • SMR000039494

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0253 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0253 0.5
Schistosoma mansoni DNA polymerase eta 0.0023 0.0253 0.0253
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0253 0.5
Giardia lamblia PHD finger protein 15 0.0035 0.0959 1
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.1399 0.1399
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0253 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2148 0.2148
Brugia malayi TAR-binding protein 0.0188 1 1
Echinococcus multilocularis tar DNA binding protein 0.0188 1 1
Schistosoma mansoni tar DNA-binding protein 0.0188 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.1399 0.1399
Trypanosoma brucei unspecified product 0.0023 0.0253 0.5
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1778 0.1778
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0253 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2148 0.2148
Schistosoma mansoni tar DNA-binding protein 0.0188 1 1
Brugia malayi jmjC domain containing protein 0.0043 0.1399 0.1399
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0959 0.0959
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.3184 0.3184
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0959 0.0959
Loa Loa (eye worm) hypothetical protein 0.0035 0.0959 0.0959
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0253 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0253 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2443 0.2443
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0253 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2148 0.2148
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0959 0.5
Loa Loa (eye worm) TAR-binding protein 0.0188 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0253 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2148 0.2148
Echinococcus multilocularis dna polymerase eta 0.0023 0.0253 0.0253
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0253 0.0253
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0253 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0253 0.5
Echinococcus granulosus peregrin 0.0035 0.0959 0.0959
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0253 0.0253
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2148 0.2148
Echinococcus granulosus dna polymerase eta 0.0023 0.0253 0.0253
Schistosoma mansoni tar DNA-binding protein 0.0188 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0959 0.0959
Schistosoma mansoni jumonji domain containing protein 0.0092 0.4307 0.4307
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0959 0.0959
Loa Loa (eye worm) hypothetical protein 0.0041 0.1312 0.1312
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0253 0.0253
Loa Loa (eye worm) RNA binding protein 0.0188 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0253 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0253 0.5
Plasmodium falciparum phd finger protein, putative 0.0035 0.0959 0.5
Schistosoma mansoni tar DNA-binding protein 0.0188 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2148 0.2148
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2148 0.2148
Brugia malayi RNA recognition motif domain containing protein 0.0188 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2443 0.2443
Brugia malayi PHD-finger family protein 0.0035 0.0959 0.0959
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0253 0.5
Schistosoma mansoni tar DNA-binding protein 0.0188 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.1312 0.1312
Leishmania major DNA polymerase eta, putative 0.0023 0.0253 0.5
Echinococcus granulosus dna polymerase kappa 0.0023 0.0253 0.0253
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0253 0.0253
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0253 0.0253
Schistosoma mansoni hypothetical protein 0.0035 0.0959 0.0959
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.5714 0.5714
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2148 0.2148
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.0023 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.006 0.2452 0.2452
Leishmania major DNA polymerase kappa, putative 0.0023 0.0253 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2443 0.2443
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0253 0.5
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1778 0.1778
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0253 0.5
Brugia malayi Bromodomain containing protein 0.0035 0.0959 0.0959
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0253 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0253 0.5
Brugia malayi jmjC domain containing protein 0.0115 0.5714 0.5714
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0253 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0253 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0253 0.5
Onchocerca volvulus Alhambra homolog 0.0035 0.0959 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0188 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0253 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0253 0.5
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0959 0.5
Echinococcus granulosus tar DNA binding protein 0.0188 1 1
Echinococcus multilocularis peregrin 0.0035 0.0959 0.0959
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0253 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0253 0.0253
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.1399 0.1399
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0253 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.2443 0.2443
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0253 0.0253
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0253 0.5
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0959 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.1399 0.1399
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.1399 0.1399
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2148 0.2148
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.5714 0.5714
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0253 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1312 0.1312

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0828 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) 0.5012 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) 7.9433 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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