Detailed information for compound 166071

Basic information

Technical information
  • TDR Targets ID: 166071
  • Name: 3-(5-thiophen-3-ylpyridin-3-yl)-1H-indole
  • MW: 276.356 | Formula: C17H12N2S
  • H donors: 1 H acceptors: 1 LogP: 3.91 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: n1cc(cc(c1)c1cscc1)c1c[nH]c2c1cccc2
  • InChi: 1S/C17H12N2S/c1-2-4-17-15(3-1)16(10-19-17)14-7-13(8-18-9-14)12-5-6-20-11-12/h1-11,19H
  • InChiKey: GDLQJKCZVIUEDN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[5-(3-thienyl)-3-pyridyl]-1H-indole
  • 3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3a

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kinase insert domain receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
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
Schistosoma mansoni vesicular amine transporter 0.0011 0.0039 0.0567
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0039
Echinococcus granulosus neuroglian 0.0014 0.0099 0.1435
Echinococcus granulosus defective proboscis extension response 0.0011 0.0039 0.0567
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0042 0.069 0.5
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0042 0.069 0.5
Loa Loa (eye worm) pax transcription factor protein 2 0.0489 1 1
Echinococcus multilocularis Immunoglobulin 0.0011 0.0039 0.0567
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0039
Brugia malayi Fibronectin type III domain containing protein 0.0011 0.0039 0.0039
Echinococcus multilocularis neuroglian 0.0014 0.0099 0.1435
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0011 0.0039 0.0567
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0042 0.069 0.069
Echinococcus multilocularis Immunoglobulin 0.0011 0.0039 0.0567
Mycobacterium tuberculosis Probable aminotransferase 0.0298 0.603 1
Echinococcus granulosus Immunoglobulin 0.0011 0.0039 0.0567
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0039
Echinococcus granulosus twitchin 0.0014 0.0099 0.1435
Echinococcus multilocularis Aminotransferase class III 0.0042 0.069 1
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0298 0.603 1
Echinococcus multilocularis ornithine aminotransferase 0.0042 0.069 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0039
Mycobacterium ulcerans hypothetical protein 0.0298 0.603 1
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0042 0.069 0.5
Plasmodium vivax ornithine aminotransferase, putative 0.0042 0.069 0.5
Schistosoma mansoni cell adhesion molecule 0.0015 0.0115 0.1675
Echinococcus granulosus ornithine aminotransferase 0.0042 0.069 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0175 0.0175
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0115 0.1675
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0183 0.3613 0.3613
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.0039 0.0039
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.0039 0.0567
Onchocerca volvulus Tyrosine kinase homolog 0.0171 0.3362 0.3362
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0039
Onchocerca volvulus 0.0167 0.3281 0.3281
Onchocerca volvulus 0.0489 1 1
Echinococcus multilocularis ornithine aminotransferase 0.0042 0.069 1
Echinococcus multilocularis roundabout 2 0.0018 0.0175 0.2542
Brugia malayi hypothetical protein 0.0011 0.0039 0.0039
Echinococcus granulosus roundabout 2 0.0018 0.0175 0.2542
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.0039 0.0567
Echinococcus granulosus Aminotransferase class III 0.0042 0.069 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.3613 0.3613
Loa Loa (eye worm) hypothetical protein 0.0018 0.0175 0.0175
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0039
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0298 0.603 0.5
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0042 0.069 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0298 0.603 1
Plasmodium falciparum ornithine aminotransferase 0.0042 0.069 0.5
Schistosoma mansoni nephrin 0.0014 0.0099 0.1435
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0298 0.603 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 126 nM Inhibition of vascular endothelial growth factor receptor 2 ChEMBL. 12941314
IC50 (binding) = 126 nM Inhibition of vascular endothelial growth factor receptor 2 ChEMBL. 12941314
Inhibition (functional) = 37 % Inhibition of VEGF-stimulated mitogenesis in human umbilical vein endothelial cells at 2500 nM ChEMBL. 12941314
Inhibition (functional) = 37 % Inhibition of VEGF-stimulated mitogenesis in human umbilical vein endothelial cells at 2500 nM ChEMBL. 12941314

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.