Detailed information for compound 442246

Basic information

Technical information
  • TDR Targets ID: 442246
  • Name: N-[4-[4-amino-7-(3-hydroxypropyl)thieno[3,2-c ]pyridin-3-yl]-2-methoxyphenyl]-1-methylindol e-2-carboxamide
  • MW: 486.585 | Formula: C27H26N4O3S
  • H donors: 3 H acceptors: 3 LogP: 4.3 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCc1cnc(c2c1scc2c1ccc(c(c1)OC)NC(=O)c1cc2c(n1C)cccc2)N
  • InChi: 1S/C27H26N4O3S/c1-31-21-8-4-3-6-17(21)12-22(31)27(33)30-20-10-9-16(13-23(20)34-2)19-15-35-25-18(7-5-11-32)14-29-26(28)24(19)25/h3-4,6,8-10,12-15,32H,5,7,11H2,1-2H3,(H2,28,29)(H,30,33)
  • InChiKey: BGPDVHQUNWLDHE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[4-amino-7-(3-hydroxypropyl)thieno[3,2-c]pyridin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide
  • N-[4-[4-amino-7-(3-hydroxypropyl)-3-thieno[3,2-c]pyridinyl]-2-methoxyphenyl]-1-methyl-2-indolecarboxamide
  • N-[4-[4-azanyl-7-(3-hydroxypropyl)thieno[3,2-c]pyridin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide
  • N-[4-[4-amino-7-(3-hydroxypropyl)thieno[4,5-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
  • N-[4-[4-amino-7-(3-hydroxypropyl)thieno[4,5-c]pyridin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide
  • N-[4-[4-amino-7-(3-hydroxypropyl)-3-thieno[4,5-c]pyridinyl]-2-methoxyphenyl]-1-methyl-2-indolecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens LCK proto-oncogene, Src family tyrosine kinase Starlite/ChEMBL 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 Nuclear hormone receptor E75 0.0051 0.4414 0.4414
Echinococcus granulosus c src tyrosine kinase 0.001 0.0437 0.0437
Onchocerca volvulus Bile acid receptor homolog 0.0107 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0051 0.4414 0.4414
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0437 0.0437
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0009 0.0312 0.0312
Brugia malayi hypothetical protein 0.0051 0.4414 0.4414
Loa Loa (eye worm) hypothetical protein 0.0051 0.4414 0.4414
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.001 0.0437 0.0437
Schistosoma mansoni nuclear hormone receptor 0.0051 0.4414 0.4414
Loa Loa (eye worm) hypothetical protein 0.0057 0.5012 0.5012
Loa Loa (eye worm) hypothetical protein 0.0051 0.4414 0.4414
Brugia malayi Tyrosine-protein kinase abl-1 0.001 0.0437 0.0437
Loa Loa (eye worm) hypothetical protein 0.0051 0.4414 0.4414
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0057 0.5012 0.5012
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0107 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0107 1 1
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0009 0.0312 0.0312
Brugia malayi conserved hypotetical protein 0.0051 0.4414 0.4414
Schistosoma mansoni nuclear receptor 0.0051 0.4414 0.4414
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0107 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.5012 0.5012
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0051 0.4414 0.4414
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0107 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0107 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0107 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0107 1 1
Onchocerca volvulus 0.0051 0.4414 0.4414
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0051 0.4414 0.4414
Loa Loa (eye worm) hypothetical protein 0.0057 0.5012 0.5012
Brugia malayi hypothetical protein 0.0057 0.5012 0.5012
Brugia malayi Nuclear hormone receptor-like 1 0.0107 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0107 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0051 0.4414 0.4414
Echinococcus multilocularis thyroid hormone receptor alpha 0.0107 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0107 1 1
Echinococcus multilocularis NCK adaptor protein 0.0009 0.0312 0.0312
Schistosoma mansoni tyrosine kinase 0.001 0.0437 0.0437
Onchocerca volvulus 0.0051 0.4414 0.4414
Schistosoma mansoni thyroid hormone receptor 0.0107 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0051 0.4414 0.4414
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.001 0.0437 0.0437
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.001 0.0437 0.0437
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0107 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0107 1 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.001 0.0437 0.0437
Brugia malayi nuclear receptor NHR-88 0.0107 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.4414 0.4414
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0107 1 1
Echinococcus multilocularis c src tyrosine kinase 0.001 0.0437 0.0437
Loa Loa (eye worm) hypothetical protein 0.0107 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0107 1 1
Loa Loa (eye worm) hypothetical protein 0.0107 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0107 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0107 1 1
Echinococcus multilocularis growth factor receptor bound protein 2 0.0009 0.0312 0.0312
Brugia malayi nuclear receptor RXR 0.0057 0.5012 0.5012
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0107 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0107 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0051 0.4414 0.4414
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0057 0.5012 0.5012
Loa Loa (eye worm) hypothetical protein 0.0051 0.4414 0.4414
Echinococcus multilocularis ecdysone induced protein 78C 0.0107 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0051 0.4414 0.4414
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.001 0.0437 0.0437
Schistosoma mansoni thyroid hormone receptor 0.0107 1 1
Brugia malayi steroid hormone receptor 0.0107 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0051 0.4414 0.4414
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0107 1 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.001 0.0437 0.0437
Echinococcus granulosus tyrosine protein kinase Src64B 0.001 0.0437 0.0437
Onchocerca volvulus 0.0107 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0107 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0107 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0437 0.0437
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0107 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.4414 0.4414
Brugia malayi hypothetical protein 0.0057 0.5012 0.5012
Brugia malayi photoreceptor-specific nuclear receptor 0.0107 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0437 0.0437
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0107 1 1
Echinococcus granulosus NCK adaptor protein 0.0009 0.0312 0.0312
Echinococcus multilocularis tyrosine protein kinase Fgr 0.001 0.0437 0.0437
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.0312 0.0312
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0051 0.4414 0.4414
Schistosoma mansoni steroid hormone receptor ad4bp 0.0107 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.4414 0.4414
Brugia malayi hypothetical protein 0.0051 0.4414 0.4414
Loa Loa (eye worm) hypothetical protein 0.0051 0.4414 0.4414
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0107 1 1
Brugia malayi ecdysone receptor 0.0051 0.4414 0.4414
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0437 0.0437
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0107 1 1
Schistosoma mansoni nck2/grb4 0.0009 0.0312 0.0312
Schistosoma mansoni coup transcription factor 0.0107 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0107 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0051 0.4414 0.4414
Schistosoma mansoni nuclear hormone receptor 0.0051 0.4414 0.4414
Loa Loa (eye worm) hypothetical protein 0.0107 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0107 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0107 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.4414 0.4414
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0009 0.0312 0.0312
Brugia malayi nuclear receptor NHR-67 0.0051 0.4414 0.4414
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0051 0.4414 0.4414
Echinococcus granulosus nuclear receptor nhr 48 0.0051 0.4414 0.4414
Brugia malayi nuclear hormone receptor 0.0051 0.4414 0.4414
Echinococcus granulosus Nuclear hormone receptor HR96 0.0051 0.4414 0.4414
Echinococcus granulosus FTZ F1 alpha 0.0107 1 1
Brugia malayi Sex muscle abnormal protein 5 0.0009 0.0312 0.0312
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0057 0.5012 0.5012
Loa Loa (eye worm) DR-78 0.0051 0.4414 0.4414
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0051 0.4414 0.4414
Loa Loa (eye worm) hypothetical protein 0.0009 0.0312 0.0312
Loa Loa (eye worm) hypothetical protein 0.0107 1 1
Schistosoma mansoni adapter molecule crk 0.0009 0.0312 0.0312
Echinococcus granulosus Nuclear hormone receptor HR96 0.0051 0.4414 0.4414
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0051 0.4414 0.4414
Brugia malayi nuclear receptor NHR-88 0.0051 0.4414 0.4414
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0107 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0107 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0057 0.5012 0.5012
Loa Loa (eye worm) hypothetical protein 0.0051 0.4414 0.4414
Schistosoma mansoni tyrosine kinase 0.001 0.0437 0.0437
Schistosoma mansoni zinc finger protein 0.0051 0.4414 0.4414
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0437 0.0437
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0107 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0051 0.4414 0.4414
Loa Loa (eye worm) hypothetical protein 0.0057 0.5012 0.5012
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0107 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0057 0.5012 0.5012
Loa Loa (eye worm) hypothetical protein 0.0107 1 1
Brugia malayi Nuclear hormone receptor E75 0.0051 0.4414 0.4414
Brugia malayi nuclear receptor RXR 0.0051 0.4414 0.4414
Schistosoma mansoni nuclear receptor nhr-48 0.0051 0.4414 0.4414
Brugia malayi SRC-1 0.001 0.0437 0.0437
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0107 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0107 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0107 1 1
Schistosoma mansoni nuclear receptor 0.0051 0.4414 0.4414
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0107 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0107 1 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.001 0.0437 0.0437
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0107 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0051 0.4414 0.4414
Brugia malayi Nuclear hormone receptor-like 1 0.0057 0.5012 0.5012
Loa Loa (eye worm) hypothetical protein 0.0051 0.4414 0.4414
Loa Loa (eye worm) nuclear hormone receptor 0.0051 0.4414 0.4414
Onchocerca volvulus Protein ultraspiracle homolog 0.0107 1 1
Loa Loa (eye worm) SRC-1 0.001 0.0437 0.0437
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.0312 0.0312
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0107 1 1
Schistosoma mansoni tyrosine kinase 0.001 0.0437 0.0437
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0107 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0051 0.4414 0.4414
Loa Loa (eye worm) hypothetical protein 0.0107 1 1
Brugia malayi Variant SH3 domain containing protein 0.0009 0.0312 0.0312
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0006 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0107 1 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.001 0.0437 0.0437
Brugia malayi Variant SH3 domain containing protein 0.0009 0.0312 0.0312
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0107 1 1
Echinococcus granulosus growth factor receptor bound protein 2 0.0009 0.0312 0.0312
Echinococcus granulosus tyrosine protein kinase Lyn 0.001 0.0437 0.0437
Schistosoma mansoni nuclear hormone receptor 0.0107 1 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.001 0.0437 0.0437
Loa Loa (eye worm) hypothetical protein 0.0051 0.4414 0.4414
Loa Loa (eye worm) hypothetical protein 0.0107 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0057 0.5012 0.5012
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0051 0.4414 0.4414
Brugia malayi nuclear hormone receptor 0.0107 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0107 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0107 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0437 0.0437
Loa Loa (eye worm) steroid hormone receptor 0.0107 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0051 0.4414 0.4414
Echinococcus granulosus tyrosine protein kinase Src42A 0.001 0.0437 0.0437
Loa Loa (eye worm) hypothetical protein 0.0057 0.5012 0.5012
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0107 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0107 1 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.001 0.0437 0.0437
Echinococcus multilocularis tyrosine protein kinase Abl 0.001 0.0437 0.0437
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0107 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.4414 0.4414
Echinococcus multilocularis nuclear receptor nhr 48 0.0051 0.4414 0.4414
Brugia malayi tailless protein 0.0051 0.4414 0.4414
Schistosoma mansoni tyrosine kinase 0.001 0.0437 0.0437

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.81 uM Inhibition of Lck ChEMBL. 17234410
IC50 (binding) = 4.81 uM Inhibition of Lck ChEMBL. 17234410
IC50 (binding) > 50 uM Inhibition of Hck ChEMBL. 17234410
IC50 (binding) > 50 uM Inhibition of Hck ChEMBL. 17234410

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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