Detailed information for compound 1473495

Basic information

Technical information
  • TDR Targets ID: 1473495
  • Name: N-[(3-chlorophenyl)methyl]-3-pyrimidin-2-ylsu lfanylpropan-1-amine
  • MW: 293.815 | Formula: C14H16ClN3S
  • H donors: 1 H acceptors: 2 LogP: 3.1 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)CNCCCSc1ncccn1
  • InChi: 1S/C14H16ClN3S/c15-13-5-1-4-12(10-13)11-16-6-3-9-19-14-17-7-2-8-18-14/h1-2,4-5,7-8,10,16H,3,6,9,11H2
  • InChiKey: LROVPFWBJKGKGM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(3-chlorophenyl)methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine
  • N-[(3-chlorophenyl)methyl]-3-(2-pyrimidinylthio)propan-1-amine
  • (3-chlorobenzyl)-[3-(pyrimidin-2-ylthio)propyl]amine
  • ASN 13829728

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
Schistosoma mansoni serine/threonine protein kinase 0.0502 0.2948 0.8414
Echinococcus granulosus hypothetical protein 0.0261 0.1281 0.3511
Trypanosoma cruzi aurora B kinase, putative 0.0434 0.2479 1
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0177 0.0702 0.1807
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0185 0.0757 0.1971
Entamoeba histolytica protein kinase domain containing protein 0.0434 0.2479 0.6598
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.016 0.0589 0.1475
Echinococcus multilocularis neuroglian 0.0202 0.0879 0.2329
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0548 0.3262 0.9337
Giardia lamblia Kinase, CDC7 0.0206 0.0906 0.1961
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.0674 0.5
Plasmodium vivax glycogen synthase kinase 3, putative 0.0177 0.0702 0.0915
Echinococcus granulosus Immunoglobulin 0.0185 0.0757 0.1971
Brugia malayi Protein kinase domain containing protein 0.1395 0.911 0.9103
Echinococcus granulosus serine:threonine protein kinase mig 15 0.0183 0.0746 0.1937
Brugia malayi Protein kinase domain containing protein 0.128 0.8315 0.83
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0087 0.0087 0.0087
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.0147 0.0496 0.0496
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0278 0.1405 0.1405
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.1524 1 1
Onchocerca volvulus 0.0177 0.0702 0.0289
Trypanosoma cruzi cdc2-related kinase 3 0.016 0.0589 0.0338
Leishmania major protein kinase, putative 0.0278 0.1405 0.4508
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0548 0.3262 0.4306
Loa Loa (eye worm) camk/mapkapk/mnk protein kinase 0.1395 0.911 0.911
Loa Loa (eye worm) AGC/PKA protein kinase 0.0151 0.0523 0.0523
Echinococcus multilocularis homeodomain interacting protein kinase 3 0.058 0.3487 1
Brugia malayi hypothetical protein 0.0185 0.0757 0.0676
Schistosoma mansoni hypothetical protein 0.015 0.0517 0.1264
Giardia lamblia Kinase, CMGC CDK 0.016 0.0589 0.0338
Echinococcus granulosus cyclin dependent kinase 5 0.016 0.0589 0.1475
Trichomonas vaginalis CMGC family protein kinase 0.0177 0.0702 0.0915
Onchocerca volvulus 0.0502 0.2948 0.3814
Plasmodium falciparum protein kinase 5 0.016 0.0589 0.0338
Entamoeba histolytica protein kinase, putative 0.0434 0.2479 0.6598
Loa Loa (eye worm) hypothetical protein 0.0151 0.0523 0.0523
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.0674 0.5
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0278 0.1405 0.4508
Echinococcus multilocularis aurora kinase A 0.0434 0.2479 0.7033
Onchocerca volvulus 0.0206 0.0906 0.0611
Echinococcus granulosus protein kinase 0.0147 0.0496 0.1202
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0278 0.1405 0.4508
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0177 0.0702 0.1807
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0278 0.1405 0.4508
Entamoeba histolytica protein kinase domain containing protein 0.0177 0.0702 0.0603
Trichomonas vaginalis CMGC family protein kinase 0.016 0.0589 0.0338
Trichomonas vaginalis CMGC family protein kinase 0.0177 0.0702 0.0915
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0548 0.3262 0.3262
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0185 0.0757 0.1971
Schistosoma mansoni ets-related 0.0265 0.1316 0.3613
Loa Loa (eye worm) AUR protein kinase 0.0434 0.2479 0.2479
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.016 0.0589 0.0338
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1919 0.7138
Entamoeba histolytica cell division protein kinase 2, putative 0.016 0.0589 0.0223
Echinococcus multilocularis Immunoglobulin 0.0185 0.0757 0.1971
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0434 0.2479 0.7033
Schistosoma mansoni serine/threonine protein kinase 0.0434 0.2479 0.7033
Trypanosoma cruzi cdc2-related kinase 1 0.016 0.0589 0.0338
Echinococcus granulosus aurora kinase A 0.0434 0.2479 0.7033
Brugia malayi Fli-1 protein 0.0265 0.1316 0.1239
Loa Loa (eye worm) AGC/PKA protein kinase 0.0151 0.0523 0.0523
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1919 0.7138
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0151 0.0523 0.1281
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0151 0.0523 0.0439
Loa Loa (eye worm) hypothetical protein 0.0185 0.0757 0.0757
Schistosoma mansoni cell adhesion molecule 0.0207 0.0913 0.2428
Trichomonas vaginalis CMGC family protein kinase 0.0278 0.1405 0.4508
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0177 0.0702 0.1807
Schistosoma mansoni serine/threonine protein kinase 0.0278 0.1405 0.3874
Plasmodium falciparum serine/threonine protein kinase, putative 0.0434 0.2479 1
Loa Loa (eye worm) hypothetical protein 0.0225 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0225 0.1035 0.1035
Brugia malayi serine/threonine-protein kinase 6 0.0434 0.2479 0.2412
Echinococcus multilocularis roundabout 2 0.0225 0.1035 0.2787
Echinococcus granulosus dual specificity protein kinase clk2 0.0278 0.1405 0.3874
Schistosoma mansoni protein kinase 0.0201 0.0869 0.23
Echinococcus granulosus defective proboscis extension response 0.0185 0.0757 0.1971
Loa Loa (eye worm) hypothetical protein 0.015 0.0517 0.0517
Echinococcus multilocularis MAM 0.015 0.0517 0.1264
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0151 0.0523 0.1281
Giardia lamblia Aurora kinase 0.0434 0.2479 1
Trypanosoma brucei cdc2-related kinase 3 0.016 0.0589 0.0338
Brugia malayi Immunoglobulin I-set domain containing protein 0.0185 0.0757 0.0676
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1919 0.7138
Echinococcus granulosus rho-associated protein kinase 1 0.0502 0.2948 0.8414
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0151 0.0523 0.1281
Giardia lamblia Kinase, CMGC CDK 0.016 0.0589 0.0338
Trichomonas vaginalis AGC family protein kinase 0.0434 0.2479 1
Schistosoma mansoni protein kinase 0.0434 0.2479 0.7033
Onchocerca volvulus 0.0206 0.0906 0.0611
Loa Loa (eye worm) hypothetical protein 0.015 0.0517 0.0517
Echinococcus multilocularis cyclin dependent kinase 1 0.016 0.0589 0.1475
Brugia malayi Fibronectin type III domain containing protein 0.0185 0.0757 0.0676
Loa Loa (eye worm) hypothetical protein 0.0185 0.0757 0.0757
Brugia malayi serine/threonine kinase 12 0.0434 0.2479 0.2412
Entamoeba histolytica protein kinase, putative 0.0434 0.2479 0.6598
Brugia malayi Homeodomain interacting protein kinase protein 1 0.058 0.3487 0.343
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0278 0.1405 0.4508
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0434 0.2479 0.6598
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1919 0.7138
Loa Loa (eye worm) CDC7 protein kinase 0.0206 0.0906 0.0906
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.1919 0.7138
Brugia malayi intracellular kinase 0.0177 0.0702 0.062
Loa Loa (eye worm) fli-1 protein 0.0265 0.1316 0.1316
Trichomonas vaginalis CMGC family protein kinase 0.016 0.0589 0.0338
Brugia malayi cell division control protein 2 homolog 0.016 0.0589 0.0506
Echinococcus multilocularis cyclin dependent kinase 0.016 0.0589 0.1475
Echinococcus granulosus protein kinase shaggy 0.0177 0.0702 0.1807
Echinococcus multilocularis 0.0147 0.0496 0.1202
Schistosoma mansoni protein kinase 0.0147 0.0496 0.1202
Loa Loa (eye worm) hypothetical protein 0.015 0.0517 0.0517
Brugia malayi probable protein kinase 0.0201 0.0869 0.0789
Trypanosoma brucei aurora B kinase 0.0434 0.2479 1
Brugia malayi Protein kinase domain containing protein 0.0548 0.3262 0.3202
Brugia malayi Protein kinase domain containing protein 0.016 0.0589 0.0506
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0177 0.0702 0.0702
Trichomonas vaginalis AGC family protein kinase 0.0434 0.2479 1
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0133 0.04 0.0918
Echinococcus granulosus cyclin dependent kinase 0.016 0.0589 0.1475
Onchocerca volvulus 0.1027 0.6566 0.949
Trypanosoma cruzi cdc2-related kinase 1 0.016 0.0589 0.0338
Plasmodium vivax protein kinase Crk2 0.016 0.0589 0.0338
Echinococcus granulosus twitchin 0.022 0.1003 0.2692
Loa Loa (eye worm) TK/ALK protein kinase 0.128 0.8312 0.8312
Echinococcus granulosus roundabout 2 0.0225 0.1035 0.2787
Echinococcus multilocularis Immunoglobulin 0.0185 0.0757 0.1971
Loa Loa (eye worm) hypothetical protein 0.1101 0.7076 0.7076
Entamoeba histolytica protein kinase domain containing protein 0.0177 0.0702 0.0603
Loa Loa (eye worm) hypothetical protein 0.0185 0.0757 0.0757
Trichomonas vaginalis AGC family protein kinase 0.0434 0.2479 1
Giardia lamblia Kinase, CMGC GSK 0.0177 0.0702 0.0915
Loa Loa (eye worm) TK/KIN16 protein kinase 0.1263 0.8198 0.8198
Schistosoma mansoni serine/threonine protein kinase 0.016 0.0589 0.1475
Schistosoma mansoni nephrin 0.0202 0.0879 0.2329
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.1919 0.4709
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0177 0.0702 0.0702
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0548 0.3262 0.3262
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0434 0.2479 0.6598
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0434 0.2479 0.7033
Schistosoma mansoni serine/threonine protein kinase 0.0151 0.0523 0.1281
Brugia malayi Immunoglobulin I-set domain containing protein 0.1263 0.8198 0.8182
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0207 0.0913 0.2428
Echinococcus multilocularis dual specificity protein kinase clk2 0.0278 0.1405 0.3874
Onchocerca volvulus 0.0484 0.2825 0.362
Entamoeba histolytica protein kinase, putative 0.0177 0.0702 0.0603
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.016 0.0589 0.0589
Schistosoma mansoni hypothetical protein 0.015 0.0517 0.1264
Loa Loa (eye worm) hypothetical protein 0.0261 0.1281 0.1281
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0278 0.1405 0.4508
Brugia malayi Protein kinase domain containing protein 0.0278 0.1405 0.1329
Leishmania major protein kinase, putative 0.0434 0.2479 1
Loa Loa (eye worm) AUR protein kinase 0.0434 0.2479 0.2479
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.016 0.0589 0.0589
Echinococcus multilocularis cyclin dependent kinase 1 0.016 0.0589 0.1475
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0151 0.0523 0.1281
Brugia malayi Protein kinase domain containing protein 0.0206 0.0906 0.0826
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.1919 0.5
Plasmodium falciparum glycogen synthase kinase 3 0.0177 0.0702 0.0915
Trichomonas vaginalis CMGC family protein kinase 0.0206 0.0906 0.1961
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.1919 0.4709
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0151 0.0523 0.1281
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0548 0.3262 0.3202
Trichomonas vaginalis CMGC family protein kinase 0.016 0.0589 0.0338
Entamoeba histolytica protein kinase , putative 0.0434 0.2479 0.6598
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0185 0.0757 0.1971
Loa Loa (eye worm) hypothetical protein 0.0183 0.0746 0.0746
Trichomonas vaginalis CMGC family protein kinase 0.0206 0.0906 0.1961
Schistosoma mansoni vesicular amine transporter 0.0185 0.0757 0.1971
Entamoeba histolytica protein kinase domain containing protein 0.058 0.3487 1
Echinococcus multilocularis CDC7 cell division cycle 7 0.0206 0.0906 0.2409
Giardia lamblia Kinase, CMGC CLK 0.0278 0.1405 0.4508
Loa Loa (eye worm) hypothetical protein 0.0185 0.0757 0.0757
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0133 0.04 0.0918
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0151 0.0523 0.1281
Schistosoma mansoni serine/threonine protein kinase 0.0278 0.1405 0.3874
Loa Loa (eye worm) hypothetical protein 0.0142 0.0466 0.0466
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1919 0.7138
Trichomonas vaginalis CMGC family protein kinase 0.0206 0.0906 0.1961
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.016 0.0589 0.0338
Echinococcus granulosus cyclin dependent kinase 1 0.016 0.0589 0.1475
Echinococcus multilocularis cyclin dependent kinase 5 0.016 0.0589 0.1475
Trypanosoma brucei cdc2-related kinase 1 0.016 0.0589 0.0338
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0278 0.1405 0.4508
Schistosoma mansoni serine/threonine protein kinase 0.058 0.3487 1
Leishmania major protein kinase, putative 0.0278 0.1405 0.4508
Brugia malayi hypothetical protein 0.015 0.0517 0.0434
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0548 0.3262 0.9337
Trypanosoma cruzi cdc2-related kinase 3 0.016 0.0589 0.0338
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.016 0.0589 0.0589
Echinococcus multilocularis protein kinase shaggy 0.0177 0.0702 0.1807
Schistosoma mansoni serine/threonine protein kinase 0.016 0.0589 0.1475
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.016 0.0589 0.0338
Loa Loa (eye worm) AUR protein kinase 0.0434 0.2479 0.2479
Echinococcus granulosus neuroglian 0.0202 0.0879 0.2329
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.0674 0.5
Plasmodium vivax serine/threonine kinase-1, putative 0.0278 0.1405 0.4508
Plasmodium falciparum protein serine/threonine kinase-1 0.0278 0.1405 0.4508
Brugia malayi serine/threonine protein kinase 6 0.0434 0.2479 0.2412
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1919 0.7138
Entamoeba histolytica cell division protein kinase 2, putative 0.016 0.0589 0.0223
Echinococcus multilocularis 0.0261 0.1281 0.3511
Schistosoma mansoni serine/threonine protein kinase 0.0151 0.0523 0.1281
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1919 0.7138
Schistosoma mansoni serine/threonine protein kinase 0.0151 0.0523 0.1281
Loa Loa (eye worm) hypothetical protein 0.0207 0.0913 0.0913
Toxoplasma gondii aurora kinase 0.0434 0.2479 1
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0434 0.2479 1
Onchocerca volvulus Tyrosine kinase homolog 0.1074 0.6891 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0177 0.0702 0.0915
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0177 0.0702 0.0915
Giardia lamblia Kinase, CMGC GSK 0.0177 0.0702 0.0915
Schistosoma mansoni serine/threonine protein kinase 0.0548 0.3262 0.9337
Echinococcus granulosus homeodomain interacting protein kinase 3 0.058 0.3487 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.0757 0.0757
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1919 0.7138
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0177 0.0702 0.0915
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0151 0.0523 0.1281
Echinococcus granulosus MAM 0.015 0.0517 0.1264
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0278 0.1405 0.4508
Loa Loa (eye worm) CMGC/DYRK/HIPK protein kinase 0.058 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0185 0.0757 0.0757
Echinococcus granulosus CDC7 cell division cycle 7 0.0206 0.0906 0.2409
Echinococcus multilocularis rho associated protein kinase 0.0502 0.2948 0.8414
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0434 0.2479 0.6598
Trypanosoma brucei protein kinase, putative 0.0177 0.0702 0.0915
Schistosoma mansoni serine/threonine protein kinase 0.0206 0.0906 0.2409
Trichomonas vaginalis AGC family protein kinase 0.0434 0.2479 1

Activities

No activities found for this compound.

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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