Detailed information for compound 1425406

Basic information

Technical information
  • TDR Targets ID: 1425406
  • Name: 2-furylmethyl-(7-methyl-2-phenyl-imidazo[3,2- a]pyridin-3-yl)amine
  • MW: 303.358 | Formula: C19H17N3O
  • H donors: 1 H acceptors: 1 LogP: 4.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccn2c(c1)nc(c2NCc1ccco1)c1ccccc1
  • InChi: 1S/C19H17N3O/c1-14-9-10-22-17(12-14)21-18(15-6-3-2-4-7-15)19(22)20-13-16-8-5-11-23-16/h2-12,20H,13H2,1H3
  • InChiKey: DRJACFNPQVCNBN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ASN 05397183
  • Furan-2-ylmethyl-(7-methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-amine
  • N-(2-furylmethyl)-7-methyl-2-phenyl-imidazo[3,2-a]pyridin-3-amine
  • N-(2-furylmethyl)-7-methyl-2-phenyl-3-imidazo[3,2-a]pyridinamine
  • N-(furan-2-ylmethyl)-7-methyl-2-phenylimidazo[3,2-a]pyridin-3-amine
  • N-(furan-2-ylmethyl)-7-methyl-2-phenyl-imidazo[3,2-a]pyridin-3-amine
  • ZINC04848438

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens breast cancer 1, early onset 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
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 0.0017 0.001 0.001
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0191 0.6193 0.6193
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0135 0.4197 0.4197
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.4197 0.6777
Brugia malayi Latrophilin receptor protein 2 0.0048 0.1105 0.1105
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0352 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.1105 0.1784
Loa Loa (eye worm) hypothetical protein 0.0027 0.0352 0.0352
Loa Loa (eye worm) hypothetical protein 0.0048 0.1105 0.1105
Schistosoma mansoni tar DNA-binding protein 0.0191 0.6193 0.6193
Echinococcus multilocularis tar DNA binding protein 0.0191 0.6193 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.1105 0.1105
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0352 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0 0.5
Mycobacterium ulcerans glutaminase 0.0297 1 0.5
Schistosoma mansoni tar DNA-binding protein 0.0191 0.6193 0.6193
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0352 1
Echinococcus granulosus tar DNA binding protein 0.0191 0.6193 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.4197 0.4197
Onchocerca volvulus 0.0164 0.5253 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.4197 0.6777
Schistosoma mansoni hypothetical protein 0.0048 0.1105 0.1105
Leishmania major hypothetical protein, conserved 0.0027 0.0352 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.4197 0.6777
Schistosoma mansoni tar DNA-binding protein 0.0191 0.6193 0.6193
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0135 0.4197 0.4197
Loa Loa (eye worm) glutaminase 2 0.0297 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.1105 0.1784
Brugia malayi MH2 domain containing protein 0.013 0.4022 0.4022
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0352 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0152 0.4818 0.4818
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.1105 0.1784
Brugia malayi hypothetical protein 0.0164 0.5253 0.5253
Loa Loa (eye worm) RNA binding protein 0.0191 0.6193 0.6193
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0352 1
Echinococcus multilocularis GPCR, family 2 0.0048 0.1105 0.1784
Schistosoma mansoni hypothetical protein 0.0048 0.1105 0.1105
Loa Loa (eye worm) hypothetical protein 0.0104 0.3099 0.3099
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.4197 0.4197
Schistosoma mansoni tar DNA-binding protein 0.0191 0.6193 0.6193
Loa Loa (eye worm) TAR-binding protein 0.0191 0.6193 0.6193
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0352 1
Schistosoma mansoni hypothetical protein 0.0104 0.3099 0.3099
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.4022 0.4022
Schistosoma mansoni hypothetical protein 0.0048 0.1105 0.1105
Schistosoma mansoni hypothetical protein 0.0175 0.5617 0.5617
Brugia malayi RNA recognition motif domain containing protein 0.0191 0.6193 0.6193
Loa Loa (eye worm) glutaminase 0.0297 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.1105 0.1784
Schistosoma mansoni glutaminase 0.0297 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0152 0.4818 0.4818
Brugia malayi hypothetical protein 0.0027 0.0352 0.0352
Trichomonas vaginalis glutaminase, putative 0.0297 1 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.4197 0.6777
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.4022 0.4022
Brugia malayi TAR-binding protein 0.0191 0.6193 0.6193
Schistosoma mansoni hypothetical protein 0.0048 0.1105 0.1105
Schistosoma mansoni hypothetical protein 0.0175 0.5617 0.5617
Echinococcus multilocularis geminin 0.0175 0.5617 0.9069
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0152 0.4818 0.4818
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0352 1
Echinococcus granulosus geminin 0.0175 0.5617 0.9069
Echinococcus granulosus GPCR family 2 0.0048 0.1105 0.1784
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.1105 0.1105
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.3099 0.3099
Brugia malayi RNA binding protein 0.0191 0.6193 0.6193
Loa Loa (eye worm) hypothetical protein 0.0164 0.5253 0.5253
Loa Loa (eye worm) hypothetical protein 0.0152 0.4818 0.4818
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.4197 0.4197
Schistosoma mansoni tar DNA-binding protein 0.0191 0.6193 0.6193

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 29.063 um PUBCHEM_BIOASSAY: Secondary LDH Assay for Activators of Human Reticulocyte Pyruvate Kinase: for Probe SAR. (Class of assay: confirmatory) [Related pubchem assays: 2095, 1631 ] ChEMBL. No reference
Potency (functional) = 32.6092 um PUBCHEM_BIOASSAY: Secondary assay for Inhibitors of Human Pyruvate Kinase M2 isoform. (Class of assay: confirmatory) [Related pubchem assays: 1634, 1631 ] ChEMBL. No reference
Potency (functional) = 32.6092 um PUBCHEM_BIOASSAY: Secondary LDH Assay for Activators of Human Pyruvate Kinase M1 Isoform: for Probe SAR. (Class of assay: confirmatory) [Related pubchem assays: 1540, 2576, 2535, 2095, 1751, 2536, 2533, 2562, 2534, 1631 ] ChEMBL. No reference
Potency (functional) = 36.5881 um PUBCHEM_BIOASSAY: Secondary LDH Assay for Activators of Human Liver Pyruvate Kinase: for Probe SAR. (Class of assay: confirmatory) [Related pubchem assays: 1540, 2576, 2535, 2095, 1751, 2536, 2533, 2562, 2534, 1631 ] ChEMBL. No reference
Potency (functional) 36.5881 uM PUBCHEM_BIOASSAY: Secondary LDH Assay for Activators of Human Pyruvate Kinase M2 isoform: for Probe SAR. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 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) 79.4328 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

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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