Detailed information for compound 1121400

Basic information

Technical information
  • TDR Targets ID: 1121400
  • Name: 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)methana mine hydrochloride
  • MW: 240.752 | Formula: C11H13ClN2S
  • H donors: 1 H acceptors: 1 LogP: 2.23 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: n1ccc(cc1)CNCc1cccs1.Cl
  • InChi: 1S/C11H12N2S.ClH/c1-2-11(14-7-1)9-13-8-10-3-5-12-6-4-10;/h1-7,13H,8-9H2;1H
  • InChiKey: YHLFWXMFQWSZKU-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(4-pyridyl)-N-(2-thienylmethyl)methanamine hydrochloride
  • 4-pyridylmethyl-(2-thenyl)amine hydrochloride
  • MLS000719283
  • SMR000291551

Targets

Known targets for this compound

No curated genes were found associated with this compound

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 0.0031 0.0109 0.0058
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0165 0.1542 0.5
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0031 0.0109 0.0085
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0031 0.0109 0.0085
Brugia malayi hypothetical protein 0.0031 0.0109 0.0058
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0031 0.0109 0.0085
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.006 0.0037
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.0518 0.0496
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0031 0.0109 0.0085
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Loa Loa (eye worm) protein tyrosine phosphatase 0.0031 0.0109 0.0109
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0031 0.0109 0.0085
Onchocerca volvulus Huntingtin homolog 0.0141 0.1292 1
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0031 0.0109 0.0085
Brugia malayi hypothetical protein 0.0031 0.0109 0.0058
Schistosoma mansoni protein-tyrosine phosphatase non-receptor type nt5 0.0031 0.0109 0.0085
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Schistosoma mansoni receptor protein tyrosine phosphatase r (pcptp1) 0.0031 0.0109 0.0085
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0031 0.0109 0.0085
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0031 0.0109 0.0085
Echinococcus granulosus neuropeptide receptor A26 0.0534 0.5482 0.5471
Brugia malayi Protein-tyrosine phosphatase 1 0.0031 0.0109 0.0058
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0031 0.0109 0.0109
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Schistosoma mansoni protein tyrosine phosphatase 0.0031 0.0109 0.0085
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0047 0.0284 0.0284
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0337 0.3385 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0031 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0049 0.0308 0.0308
Schistosoma mansoni pcd6 interacting protein-related 0.0031 0.0109 0.0085
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0337 0.3385 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Brugia malayi Bromodomain containing protein 0.0087 0.0707 0.0659
Loa Loa (eye worm) protein-tyrosine phosphatase 1 0.0031 0.0109 0.0109
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0337 0.3385 1
Schistosoma mansoni protein tyrosine phosphatase 0.0031 0.0109 0.0085
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0337 0.3385 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.0518 0.0496
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0031 0.0109 0.0109
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0031 0.0109 0.0085
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0956 1 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0031 0.0109 0.0109
Brugia malayi Bromodomain containing protein 0.0044 0.0254 0.0204
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0031 0.0109 0.0085
Echinococcus multilocularis protein tyrosine phosphatase n9 0.0031 0.0109 0.0085
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0337 0.3385 1
Treponema pallidum fructose-bisphosphate aldolase 0.0337 0.3385 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0165 0.1542 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0384 0.3886 0.3871
Echinococcus multilocularis 0.0031 0.0109 0.0085
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.006 0.0037
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0037 0.0037
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.0225 0.0202
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Brugia malayi Dual specificity protein phosphatase CDC14B 0.0031 0.0109 0.0058
Schistosoma mansoni hypothetical protein 0.0186 0.177 0.175
Brugia malayi hypothetical protein 0.0031 0.0109 0.0058
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0031 0.0109 0.0085
Loa Loa (eye worm) protein-tyrosine-phosphatase 0.0031 0.0109 0.0109
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0031 0.0109 0.0085
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0031 0.0109 0.0085
Schistosoma mansoni hypothetical protein 0.0024 0.0037 0.0013
Schistosoma mansoni non-receptor protein-tyrosine phosphatase 0.0031 0.0109 0.0085
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0031 0.0109 0.0085
Echinococcus granulosus neuropeptide s receptor 0.0534 0.5482 0.5471
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0956 1 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0031 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0956 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0337 0.3385 1
Echinococcus granulosus protein tyrosine phosphatase n9 0.0031 0.0109 0.0085
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0031 0.0109 0.0085
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0384 0.3886 0.3871
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0031 0.0109 0.0085
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0031 0.0109 0.0085
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0031 0.0109 0.0109
Brugia malayi MH2 domain containing protein 0.0116 0.1025 0.0979
Echinococcus multilocularis neuropeptide receptor A26 0.0534 0.5482 0.5471
Brugia malayi Cytochrome P450 family protein 0.0057 0.0396 0.0347
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0031 0.0109 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0956 1 1
Schistosoma mansoni hypothetical protein 0.0186 0.177 0.175
Loa Loa (eye worm) hypothetical protein 0.0141 0.1292 0.1292
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0031 0.0109 0.0085
Loa Loa (eye worm) cytochrome P450 family protein 0.0057 0.0396 0.0396
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0031 0.0109 0.0109
Brugia malayi hypothetical protein 0.0141 0.1292 0.1248
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0031 0.0109 0.0085
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0031 0.0109 0.0085
Echinococcus multilocularis hypothetical protein 0.0031 0.0109 0.0085
Schistosoma mansoni protein-tyrosine phosphatase n9 0.0031 0.0109 0.0085
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0031 0.0109 0.0085
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0031 0.0109 0.0085
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Loa Loa (eye worm) dual specificity protein phosphatase CDC14B 0.0031 0.0109 0.0109
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0031 0.0109 0.0085
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0337 0.3385 1
Echinococcus granulosus geminin 0.0186 0.177 0.175
Leishmania major tyrosine specific protein phosphatase, putative 0.0031 0.0109 1
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0031 0.0109 0.0085
Loa Loa (eye worm) hypothetical protein 0.0141 0.1292 0.1292
Echinococcus multilocularis receptor type tyrosine protein phosphatase H 0.0031 0.0109 0.0085
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0031 0.0109 0.0085
Loa Loa (eye worm) CYP4Cod1 0.0025 0.0051 0.0051
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0031 0.0109 0.0109
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0031 0.0109 0.0085
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0031 0.0109 0.0085
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0337 0.3385 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0031 0.0109 0.0085
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0031 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Schistosoma mansoni bromodomain containing protein 0.0073 0.0562 0.054
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0031 0.0109 0.0085
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0337 0.3385 1
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0031 0.0109 0.0058
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Brugia malayi Protein-tyrosine phosphatase 0.0031 0.0109 0.0058
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0384 0.3886 0.3871
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0031 0.0109 0.0109
Brugia malayi Protein-tyrosine phosphatase 0.0031 0.0109 0.0058
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0031 0.0109 0.0085
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0031 0.0109 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0031 0.0109 0.0085
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0031 0.0109 0.0109
Echinococcus multilocularis geminin 0.0186 0.177 0.175
Brugia malayi hypothetical protein 0.0031 0.0109 0.0058
Schistosoma mansoni protein tyrosine phosphatase 0.0031 0.0109 0.0085
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0031 0.0109 0.0085
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1025 0.1025
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0031 0.0109 0.0109
Brugia malayi PHD-finger family protein 0.0029 0.0089 0.0038
Loa Loa (eye worm) hypothetical protein 0.0082 0.0654 0.0654
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0031 0.0109 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0031 0.0109 0.0085
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0031 0.0109 0.0085
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0337 0.3385 1
Leishmania major protein-tyrosine phosphatase 1-like protein 0.0031 0.0109 1
Trypanosoma brucei protein tyrosine phosphatase 1 0.0031 0.0109 1
Echinococcus multilocularis neuropeptide s receptor 0.0534 0.5482 0.5471
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0031 0.0109 0.0109
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0044 0.0255 0.0255
Onchocerca volvulus Huntingtin homolog 0.0141 0.1292 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0031 0.0109 0.0085
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0031 0.0109 0.0085
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.006 0.0037
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0031 0.0109 0.0109
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0165 0.1542 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0031 0.0109 0.0085
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.0225 0.0202
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0031 0.0109 0.0085
Giardia lamblia Fructose-bisphosphate aldolase 0.0337 0.3385 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0031 0.0109 0.0058
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1025 0.1025
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0031 0.0109 0.0085
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Schistosoma mansoni rgs-gaip interacting protein gipc 0.0031 0.0109 0.0085
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0031 0.0109 0.0109
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0031 0.0109 0.0085
Loa Loa (eye worm) hypothetical protein 0.0031 0.0109 0.0109
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0031 0.0109 0.0085
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0031 0.0109 0.0085

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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