Detailed information for compound 453775

Basic information

Technical information
  • TDR Targets ID: 453775
  • Name: 3-naphthalen-2-yl-7-(3,4,5-trimethoxyphenyl)t hieno[3,2-c]pyridin-4-amine
  • MW: 442.529 | Formula: C26H22N2O3S
  • H donors: 1 H acceptors: 1 LogP: 5.94 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(OC)cc(cc1OC)c1cnc(c2c1scc2c1ccc2c(c1)cccc2)N
  • InChi: 1S/C26H22N2O3S/c1-29-21-11-18(12-22(30-2)24(21)31-3)19-13-28-26(27)23-20(14-32-25(19)23)17-9-8-15-6-4-5-7-16(15)10-17/h4-14H,1-3H3,(H2,27,28)
  • InChiKey: AFRJKSIXQFNFGF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2-naphthyl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridin-4-amine
  • 3-(2-naphthalenyl)-7-(3,4,5-trimethoxyphenyl)-4-thieno[3,2-c]pyridinamine
  • [3-(2-naphthyl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridin-4-yl]amine
  • 3-(2-naphthyl)-7-(3,4,5-trimethoxyphenyl)-4-thieno[3,2-c]pyridinamine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens EPH receptor B4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126715 All targets in OG5_126715
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126715 All targets in OG5_126715
Loa Loa (eye worm) TK/EPH protein kinase Get druggable targets OG5_126715 All targets in OG5_126715
Echinococcus granulosus ephrin type A receptor 4 A Get druggable targets OG5_126715 All targets in OG5_126715
Echinococcus multilocularis ephrin type A receptor 4 A Get druggable targets OG5_126715 All targets in OG5_126715
Schistosoma mansoni ephrin receptor Get druggable targets OG5_126715 All targets in OG5_126715
Onchocerca volvulus Get druggable targets OG5_126715 All targets in OG5_126715
Brugia malayi ephrin receptor 1 precursor Get druggable targets OG5_126715 All targets in OG5_126715
Schistosoma japonicum ko:K05109 Eph receptor A8, putative Get druggable targets OG5_126715 All targets in OG5_126715
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
Mycobacterium ulcerans membrane-bound esterase LipM 0.0043 0.0045 0.5
Mycobacterium tuberculosis Possible lipase LipU 0.0043 0.0045 0.5
Mycobacterium ulcerans carboxylesterase LipQ 0.0043 0.0045 0.5
Mycobacterium ulcerans acetyl hydrolase MbtJ 0.0043 0.0045 0.5
Mycobacterium ulcerans esterase/lipase 0.0043 0.0045 0.5
Mycobacterium leprae Possible lipase LipU 0.0043 0.0045 0.5
Loa Loa (eye worm) aryl-acylamidase 0.0043 0.0045 0.0038
Mycobacterium tuberculosis Probable lipase/esterase LipN 0.0043 0.0045 0.5
Mycobacterium tuberculosis Probable carboxylesterase LipQ 0.0043 0.0045 0.5
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0043 0.0045 0.5
Leishmania major ecotin, putative 0.0043 0.0045 0.5
Mycobacterium ulcerans esterase LipC 0.0043 0.0045 0.5
Mycobacterium tuberculosis Probable lipase LipH 0.0043 0.0045 0.5
Mycobacterium tuberculosis Probable esterase/lipase LipF 0.0043 0.0045 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0045 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.0136 0.0129
Mycobacterium tuberculosis Probable esterase LipC 0.0043 0.0045 0.5
Mycobacterium ulcerans hypothetical protein 0.0043 0.0045 0.5
Mycobacterium tuberculosis Probable esterase LipM 0.0043 0.0045 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.2544 1 1
Treponema pallidum N-acetylphosphinothricin-tripetide-deacetylase 0.0043 0.0045 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S9D 0.0043 0.0045 0.5
Echinococcus multilocularis hormone sensitive lipase 0.2544 1 1
Mycobacterium ulcerans esterase LipW 0.0043 0.0045 0.5
Trypanosoma cruzi Alpha/beta hydrolase domain-containing protein 0.0043 0.0045 0.5
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0043 0.0045 0.5
Mycobacterium ulcerans lipase/esterase LipN 0.0043 0.0045 0.5
Mycobacterium ulcerans esterase LipO 0.0043 0.0045 0.5
Mycobacterium tuberculosis Probable esterase LipO 0.0043 0.0045 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.2544 1 1
Mycobacterium ulcerans lipase LipU 0.0043 0.0045 0.5
Trypanosoma brucei Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0043 0.0045 0.5
Schistosoma mansoni ephrin receptor 0.0067 0.0139 0.0094
Trichomonas vaginalis Esterase, putative 0.0043 0.0045 0.5
Loa Loa (eye worm) hypothetical protein 0.2544 1 1
Loa Loa (eye worm) TK/EPH protein kinase 0.0085 0.0211 0.0204
Brugia malayi aryl-acylamidase 0.0043 0.0045 1
Trichomonas vaginalis Esterase, putative 0.0043 0.0045 0.5
Leishmania major hypothetical protein, conserved 0.0043 0.0045 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.2544 1 1
Mycobacterium ulcerans lipase LipI 0.0043 0.0045 0.5
Mycobacterium tuberculosis Probable acetyl-hydrolase/esterase LipR 0.0043 0.0045 0.5
Trichomonas vaginalis Esterase, putative 0.0043 0.0045 0.5
Mycobacterium tuberculosis Possible esterase LipW 0.0043 0.0045 0.5
Mycobacterium ulcerans lipase LipU 0.0043 0.0045 0.5
Onchocerca volvulus 0.0066 0.0136 1
Mycobacterium tuberculosis Probable non lipolytic carboxylesterase NlhH 0.0043 0.0045 0.5
Mycobacterium tuberculosis Putative acetyl hydrolase MbtJ 0.0043 0.0045 0.5
Loa Loa (eye worm) ammd protein 0.0043 0.0045 0.0038
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0043 0.0045 0.5
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0043 0.0045 0.5
Mycobacterium ulcerans lipase LipH 0.0043 0.0045 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2200 nM Inhibition of human EphB4 by scintillation proximity method ChEMBL. 17027260
IC50 (binding) = 2200 nM Inhibition of human EphB4 by scintillation proximity method ChEMBL. 17027260

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

1 literature reference was collected for this gene.

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