Detailed information for compound 1376027

Basic information

Technical information
  • TDR Targets ID: 1376027
  • Name: 1-(4-methylpyrimidin-2-yl)-N-(thiophen-2-ylme thyl)piperidine-3-carboxamide
  • MW: 316.421 | Formula: C16H20N4OS
  • H donors: 1 H acceptors: 3 LogP: 2.04 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCN(C1)c1nccc(n1)C)NCc1cccs1
  • InChi: 1S/C16H20N4OS/c1-12-6-7-17-16(19-12)20-8-2-4-13(11-20)15(21)18-10-14-5-3-9-22-14/h3,5-7,9,13H,2,4,8,10-11H2,1H3,(H,18,21)
  • InChiKey: PBJHOGNIQFLWPL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-methylpyrimidin-2-yl)-N-(2-thienylmethyl)piperidine-3-carboxamide
  • 1-(4-methyl-2-pyrimidinyl)-N-(2-thienylmethyl)-3-piperidinecarboxamide
  • 1-(4-methylpyrimidin-2-yl)-N-(2-thienylmethyl)nipecotamide
  • 1-(4-Methyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (thiophen-2-ylmethyl)-amide
  • MLS000122351
  • ASN 06578910
  • SMR000119719

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No 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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Netrin receptor DCC 0.0052 0.1879 0.1879
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.1879 0.4527
Brugia malayi Lethal protein 805 0.0052 0.1879 0.4527
Brugia malayi SH2 domain containing protein 0.0021 0.022 0.0529
Schistosoma mansoni tyrosine kinase 0.0025 0.0434 0.0434
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Echinococcus granulosus roundabout 2 0.0095 0.4151 0.4151
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0025 0.0434 0.0434
Echinococcus multilocularis Fibronectin, type III 0.0052 0.1879 0.1879
Brugia malayi kettin 0.0043 0.1402 0.3377
Loa Loa (eye worm) animal heme peroxidase 0.0043 0.1402 0.3377
Schistosoma mansoni cell adhesion molecule 0.0095 0.4151 0.4151
Onchocerca volvulus 0.0095 0.4151 1
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.1402 0.1402
Onchocerca volvulus 0.0021 0.022 0.0529
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0052 0.1879 0.1879
Onchocerca volvulus 0.0095 0.4151 1
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0052 0.1879 0.1879
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0052 0.1879 0.4527
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0095 0.4151 0.4151
Schistosoma mansoni subfamily M23B non-peptidase homologue (M23 family) 0.0043 0.1402 0.1402
Brugia malayi myotactin form A 0.0052 0.1879 0.4527
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Echinococcus granulosus roundabout 2 0.0095 0.4151 0.4151
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.1402 0.3377
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Trichomonas vaginalis serine/threonine-protein kinase wnk, putative 0.0016 0 0.5
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0052 0.1879 0.4527
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0043 0.1402 0.3377
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0025 0.0434 0.0434
Brugia malayi Immunoglobulin I-set domain containing protein 0.0095 0.4151 1
Echinococcus granulosus tyrosine kinase 0.0021 0.022 0.022
Schistosoma mansoni nephrin 0.0095 0.4151 0.4151
Onchocerca volvulus 0.0043 0.1402 0.3377
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.1402 0.3377
Echinococcus multilocularis Fibronectin type III domain containing protein 0.0052 0.1879 0.1879
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0021 0.022 0.022
Echinococcus multilocularis titin 0.0052 0.1879 0.1879
Echinococcus multilocularis peroxidasin 0.0043 0.1402 0.1402
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.1402 0.3377
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Onchocerca volvulus Tyrosine kinase homolog 0.0059 0.2272 0.5473
Schistosoma mansoni hypothetical protein 0.0043 0.1402 0.1402
Echinococcus granulosus titin 0.0043 0.1402 0.1402
Brugia malayi Animal haem peroxidase family protein 0.0043 0.1402 0.3377
Echinococcus multilocularis geminin 0.0205 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.4151 0.4151
Brugia malayi hypothetical protein 0.0021 0.022 0.0529
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Echinococcus multilocularis 0.0043 0.1402 0.1402
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0052 0.1879 0.1879
Echinococcus multilocularis titin 0.0043 0.1402 0.1402
Loa Loa (eye worm) hypothetical protein 0.0052 0.1879 0.4527
Onchocerca volvulus 0.0021 0.022 0.0529
Loa Loa (eye worm) TK protein kinase 0.0021 0.022 0.0529
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.022 0.0529
Brugia malayi Tyrosine-protein kinase abl-1 0.0025 0.0434 0.1045
Plasmodium falciparum tyrosine kinase-like protein 0.0016 0 0.5
Giardia lamblia Kinase, NEK 0.0016 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0068 0.2749 0.2749
Giardia lamblia Kinase 0.0016 0 0.5
Onchocerca volvulus 0.0052 0.1879 0.4527
Loa Loa (eye worm) lethal protein 805 0.0052 0.1879 0.4527
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0052 0.1879 0.1879
Loa Loa (eye worm) hypothetical protein 0.0052 0.1879 0.4527
Trichomonas vaginalis protein kinase atn1, putative 0.0016 0 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.1879 0.4527
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0025 0.0434 0.0434
Trichomonas vaginalis serine-threonine protein kinase, putative 0.0016 0 0.5
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0095 0.4151 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0025 0.0434 0.0434
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0095 0.4151 0.4151
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0095 0.4151 0.4151
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Schistosoma mansoni ephrin receptor 0.0068 0.2749 0.2749
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Echinococcus multilocularis tyrosine kinase 0.0021 0.022 0.022
Schistosoma mansoni nephrin related 0.0043 0.1402 0.1402
Onchocerca volvulus 0.0043 0.1402 0.3377
Schistosoma mansoni cell adhesion molecule 0.0095 0.4151 0.4151
Echinococcus granulosus roundabout 2 0.0095 0.4151 0.4151
Schistosoma mansoni titin 0.0043 0.1402 0.1402
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.022 0.0529
Echinococcus granulosus peroxidasin 0.0043 0.1402 0.1402
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.022 0.0529
Schistosoma mansoni hypothetical protein 0.0043 0.1402 0.1402
Schistosoma mansoni hypothetical protein 0.0043 0.1402 0.1402
Brugia malayi Immunoglobulin I-set domain containing protein 0.0095 0.4151 1
Schistosoma mansoni hemicentin 0.0095 0.4151 0.4151
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0025 0.0434 0.0434
Schistosoma mansoni hypothetical protein 0.0205 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0021 0.022 0.022
Schistosoma mansoni hypothetical protein 0.0043 0.1402 0.1402
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.1879 0.4527
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0052 0.1879 0.4527
Schistosoma mansoni titin 0.0043 0.1402 0.1402
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Echinococcus multilocularis tyrosine protein kinase otk 0.0043 0.1402 0.1402
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0043 0.1402 0.3377
Echinococcus granulosus tyrosine protein kinase Fyn 0.0025 0.0434 0.0434
Schistosoma mansoni tyrosine kinase 0.0021 0.022 0.022
Echinococcus multilocularis lachesin 0.0043 0.1402 0.1402
Onchocerca volvulus Peroxidasin homolog 0.0043 0.1402 0.3377
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0025 0.0434 0.0434
Loa Loa (eye worm) myotactin form A 0.0052 0.1879 0.4527
Echinococcus granulosus titin 0.0095 0.4151 0.4151
Onchocerca volvulus 0.0095 0.4151 1
Schistosoma mansoni titin 0.0043 0.1402 0.1402
Echinococcus granulosus insulin growth factor binding 0.0043 0.1402 0.1402
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0025 0.0434 0.0434
Echinococcus multilocularis Phosphotidylinositol phosphatase PTPRQ 0.0052 0.1879 0.1879
Schistosoma mansoni hypothetical protein 0.0043 0.1402 0.1402
Echinococcus granulosus titin 0.0095 0.4151 0.4151
Brugia malayi hypothetical protein 0.0052 0.1879 0.4527
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Echinococcus granulosus tyrosine protein kinase Blk 0.0021 0.022 0.022
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Loa Loa (eye worm) one IG domain family member 0.0043 0.1402 0.3377
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0043 0.1402 0.3377
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Echinococcus granulosus tyrosine protein kinase Lyn 0.0025 0.0434 0.0434
Echinococcus granulosus neuroglian 0.0043 0.1402 0.1402
Onchocerca volvulus 0.0043 0.1402 0.3377
Echinococcus granulosus usherin 0.0052 0.1879 0.1879
Schistosoma mansoni slit 0.0043 0.1402 0.1402
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Echinococcus granulosus down syndrome cell adhesion 0.0043 0.1402 0.1402
Loa Loa (eye worm) hypothetical protein 0.0052 0.1879 0.4527
Echinococcus granulosus titin 0.0043 0.1402 0.1402
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Brugia malayi SPRY domain containing protein 0.0052 0.1879 0.4527
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.1402 0.3377
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0095 0.4151 0.4151
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0052 0.1879 0.1879
Brugia malayi Fibronectin type III domain containing protein 0.0052 0.1879 0.4527
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Echinococcus granulosus tyrosine protein kinase shark 0.0021 0.022 0.022
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.1402 0.3377
Onchocerca volvulus 0.0043 0.1402 0.3377
Echinococcus multilocularis tyrosine protein kinase Srms 0.0021 0.022 0.022
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Trypanosoma cruzi hypothetical protein, conserved 0.0052 0.1879 1
Echinococcus multilocularis neuroglian 0.0043 0.1402 0.1402
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.1402 0.3377
Echinococcus multilocularis hemicentin 1 0.0043 0.1402 0.1402
Echinococcus multilocularis anosmin 1 0.0052 0.1879 0.1879
Schistosoma mansoni hypothetical protein 0.0205 1 1
Schistosoma mansoni titin 0.0095 0.4151 0.4151
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0016 0 0.5
Toxoplasma gondii protein kinase 0.0016 0 0.5
Onchocerca volvulus 0.0052 0.1879 0.4527
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0043 0.1402 0.3377
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Onchocerca volvulus 0.0052 0.1879 0.4527
Loa Loa (eye worm) hypothetical protein 0.0052 0.1879 0.4527
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0016 0 0.5
Loa Loa (eye worm) projectin 0.0095 0.4151 1
Brugia malayi Protein kinase domain containing protein 0.0021 0.022 0.0529
Schistosoma mansoni hypothetical protein 0.0043 0.1402 0.1402
Echinococcus multilocularis titin 0.0043 0.1402 0.1402
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0043 0.1402 0.3377
Loa Loa (eye worm) hypothetical protein 0.0052 0.1879 0.4527
Onchocerca volvulus Putative titin 0.0043 0.1402 0.3377
Schistosoma mansoni septate junction protein 0.0043 0.1402 0.1402
Schistosoma mansoni tyrosine kinase 0.0025 0.0434 0.0434
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0043 0.1402 0.3377
Schistosoma mansoni titin 0.0095 0.4151 0.4151
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Brugia malayi Wrapper/rega-1/klingon homolog protein 1 0.0043 0.1402 0.3377
Brugia malayi Protein-tyrosine phosphatase 0.0052 0.1879 0.4527
Brugia malayi Protein kinase domain containing protein 0.0021 0.022 0.0529
Onchocerca volvulus 0.0021 0.022 0.0529
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0021 0.022 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0095 0.4151 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1879 0.4527
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0095 0.4151 0.4151
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0025 0.0434 0.0434
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Echinococcus multilocularis down syndrome cell adhesion 0.0043 0.1402 0.1402
Trichomonas vaginalis TK family protein kinase 0.0016 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Schistosoma mansoni factor for adipocyte differentiation 0.0052 0.1879 0.1879
Loa Loa (eye worm) UNCoordinated family member 0.0052 0.1879 0.4527
Schistosoma mansoni nephrin 0.0095 0.4151 0.4151
Echinococcus granulosus contactin 0.0095 0.4151 0.4151
Echinococcus granulosus G1Y162 protein 0.0052 0.1879 0.1879
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0052 0.1879 0.4527
Loa Loa (eye worm) hypothetical protein 0.0052 0.1879 0.4527
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.022 0.0529
Echinococcus multilocularis usherin 0.0052 0.1879 0.1879
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0016 0 0.5
Loa Loa (eye worm) TK/ROR protein kinase 0.0059 0.2272 0.5473
Onchocerca volvulus 0.0052 0.1879 0.4527
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0095 0.4151 0.4151
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Schistosoma mansoni tyrosine kinase 0.0059 0.2272 0.2272
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.1402 0.3377
Loa Loa (eye worm) hypothetical protein 0.0052 0.1879 0.4527
Onchocerca volvulus 0.0052 0.1879 0.4527
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Onchocerca volvulus 0.0043 0.1402 0.3377
Schistosoma mansoni tyrosine kinase 0.0025 0.0434 0.0434
Echinococcus multilocularis Opioid binding protein:cell adhesion molecule 0.0043 0.1402 0.1402
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Echinococcus granulosus lachesin 0.0043 0.1402 0.1402
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Brugia malayi SH2 domain containing protein 0.0021 0.022 0.0529
Echinococcus multilocularis fibronectin type III domain-containing protein 0.0052 0.1879 0.1879
Trichomonas vaginalis CAMK family protein kinase 0.0016 0 0.5
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0068 0.2749 0.2749
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0095 0.4151 0.4151
Onchocerca volvulus 0.0043 0.1402 0.3377
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0052 0.1879 0.1879
Schistosoma mansoni factor for adipocyte differentiation 0.0052 0.1879 0.1879
Giardia lamblia Kinase, NEK 0.0016 0 0.5
Onchocerca volvulus 0.0021 0.022 0.0529
Brugia malayi Fibronectin type III domain containing protein 0.0052 0.1879 0.4527
Echinococcus granulosus Fibronectin type III domain containing protein 0.0052 0.1879 0.1879
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Echinococcus multilocularis insulin growth factor binding 0.0043 0.1402 0.1402
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0052 0.1879 0.4527
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Brugia malayi Peroxidasin 0.0043 0.1402 0.3377
Echinococcus granulosus anosmin 1 0.0052 0.1879 0.1879
Brugia malayi Leucine Rich Repeat family protein 0.0043 0.1402 0.3377
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0025 0.0434 0.0434
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0043 0.1402 0.3377
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Echinococcus granulosus fibronectin type III domain-containing protein 0.0052 0.1879 0.1879
Echinococcus multilocularis leucine rich repeats and immunoglobulin 0.0043 0.1402 0.1402
Echinococcus granulosus tyrosine protein kinase Src64B 0.0025 0.0434 0.0434
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0043 0.1402 0.1402
Echinococcus multilocularis cell adhesion molecule 0.0052 0.1879 0.1879
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Brugia malayi Disorganized muscle protein 1 0.0043 0.1402 0.3377
Plasmodium vivax tyrosine kinase-like protein, putative 0.0016 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Echinococcus granulosus hemicentin 1 0.0043 0.1402 0.1402
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.022 0.0529
Echinococcus multilocularis Netrin receptor DCC 0.0052 0.1879 0.1879
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0052 0.1879 0.1879
Schistosoma mansoni roundabout 0.0043 0.1402 0.1402
Loa Loa (eye worm) disorganized muscle protein 1 0.0043 0.1402 0.3377
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Brugia malayi Fibronectin type III domain containing protein 0.0052 0.1879 0.4527
Onchocerca volvulus 0.0021 0.022 0.0529
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.1402 0.3377
Echinococcus multilocularis tyrosine protein kinase shark 0.0021 0.022 0.022
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0043 0.1402 0.3377
Toxoplasma gondii protein kinase domain-containing protein 0.0016 0 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.022 0.0529
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0025 0.0434 0.0434
Echinococcus granulosus anosmin 1 0.0052 0.1879 0.1879
Echinococcus multilocularis twitchin 0.0043 0.1402 0.1402
Schistosoma mansoni titin 0.0043 0.1402 0.1402
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.1402 0.3377
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0052 0.1879 0.1879
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.1402 0.3377
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Echinococcus granulosus Netrin receptor DCC 0.0052 0.1879 0.1879
Loa Loa (eye worm) hypothetical protein 0.0095 0.4151 1
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Echinococcus multilocularis anosmin 1 0.0052 0.1879 0.1879
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Onchocerca volvulus 0.0052 0.1879 0.4527
Echinococcus granulosus EG95 0.0052 0.1879 0.1879
Brugia malayi Prion-like- 0.0043 0.1402 0.3377
Echinococcus multilocularis titin 0.0095 0.4151 0.4151
Loa Loa (eye worm) hypothetical protein 0.0052 0.1879 0.4527
Giardia lamblia Protein 21.1 0.0016 0 0.5
Echinococcus granulosus titin 0.0043 0.1402 0.1402
Echinococcus granulosus tyrosine protein kinase Fyn 0.0025 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0052 0.1879 0.4527
Loa Loa (eye worm) TK/ABL protein kinase 0.0021 0.022 0.0529
Schistosoma mansoni cell adhesion molecule 0.0052 0.1879 0.1879
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0025 0.0434 0.0434
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0095 0.4151 1
Schistosoma mansoni cell adhesion molecule 0.0095 0.4151 0.4151
Echinococcus multilocularis roundabout 2 0.0095 0.4151 0.4151
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0052 0.1879 0.4527
Echinococcus granulosus twitchin 0.0043 0.1402 0.1402
Plasmodium vivax tyrosine kinase-like protein, putative 0.0016 0 0.5
Echinococcus granulosus leucine rich repeats and immunoglobulin 0.0043 0.1402 0.1402
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Schistosoma mansoni hypothetical protein 0.0052 0.1879 0.1879
Brugia malayi Fibronectin type III domain containing protein 0.0052 0.1879 0.4527
Loa Loa (eye worm) hypothetical protein 0.0095 0.4151 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.1402 0.3377
Echinococcus multilocularis pro neuregulin 2, membrane bound 0.0043 0.1402 0.1402
Echinococcus granulosus cell adhesion molecule 0.0052 0.1879 0.1879
Echinococcus granulosus neuroglian 0.0095 0.4151 0.4151
Loa Loa (eye worm) hypothetical protein 0.0052 0.1879 0.4527
Schistosoma mansoni factor for adipocyte differentiation 0.0052 0.1879 0.1879
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0025 0.0434 0.0434
Onchocerca volvulus 0.0043 0.1402 0.3377
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0052 0.1879 0.4527
Echinococcus multilocularis tyrosine protein kinase Abl 0.0025 0.0434 0.0434
Onchocerca volvulus 0.0052 0.1879 0.4527
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Brugia malayi Lethal protein 805 0.0052 0.1879 0.4527
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.1402 0.3377
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Brugia malayi myotactin form B 0.0052 0.1879 0.4527
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.022 0.0529
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0052 0.1879 0.1879
Schistosoma mansoni protein tyrosine phosphatase 0.0052 0.1879 0.1879
Schistosoma mansoni neuroglian 0.0095 0.4151 0.4151
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0021 0.022 0.022
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Plasmodium falciparum protein kinase, putative 0.0016 0 0.5
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0052 0.1879 0.1879
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.022 0.0529
Echinococcus multilocularis c src tyrosine kinase 0.0025 0.0434 0.0434
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0214 0.0214
Echinococcus multilocularis tyrosine protein kinase Blk 0.0021 0.022 0.022
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Leishmania major hypothetical protein, conserved 0.0052 0.1879 1
Brugia malayi protein unc-22 0.0095 0.4151 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1879 0.4527
Loa Loa (eye worm) CAMK protein kinase 0.0095 0.4151 1
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0025 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Brugia malayi Prion-like- 0.0043 0.1402 0.3377
Brugia malayi Immunoglobulin I-set domain containing protein 0.0095 0.4151 1
Brugia malayi Fibronectin type III domain containing protein 0.0052 0.1879 0.4527
Echinococcus multilocularis neuroglian 0.0095 0.4151 0.4151
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Onchocerca volvulus 0.0021 0.022 0.0529
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0052 0.1879 0.1879
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0052 0.1879 0.1879
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Onchocerca volvulus Netrin receptor homolog 0.0043 0.1402 0.3377
Toxoplasma gondii STE kinase 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.1402 0.3377
Brugia malayi Myb-like DNA-binding domain containing protein 0.0043 0.1402 0.3377
Plasmodium falciparum protein kinase, putative 0.0016 0 0.5
Echinococcus granulosus anosmin 1 0.0052 0.1879 0.1879
Echinococcus granulosus tyrosine protein kinase Src42A 0.0025 0.0434 0.0434
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0052 0.1879 0.1879
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Loa Loa (eye worm) SRC-1 0.0025 0.0434 0.1045
Schistosoma mansoni hypothetical protein 0.0052 0.1879 0.1879
Brugia malayi Immunoglobulin I-set domain containing protein 0.0095 0.4151 1
Echinococcus granulosus tyrosine kinase 0.0021 0.022 0.022
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.1402 0.3377
Echinococcus granulosus tyrosine protein kinase Fyn 0.0025 0.0434 0.0434
Brugia malayi hypothetical protein 0.0052 0.1879 0.4527
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Schistosoma mansoni tyrosine kinase 0.0021 0.022 0.022
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.1402 0.3377
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0021 0.022 0.022
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.1402 0.3377
Schistosoma mansoni hypothetical protein 0.0095 0.4151 0.4151
Echinococcus granulosus tyrosine protein kinase ABL1 0.0021 0.022 0.022
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.1402 0.3377
Brugia malayi Protein kinase domain containing protein 0.0021 0.022 0.0529
Brugia malayi Immunoglobulin I-set domain containing protein 0.0095 0.4151 1
Brugia malayi Protein kinase domain containing protein 0.0021 0.022 0.0529
Echinococcus granulosus tyrosine protein kinase otk 0.0043 0.1402 0.1402
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.1402 0.3377
Loa Loa (eye worm) hypothetical protein 0.0052 0.1879 0.4527
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0095 0.4151 1
Schistosoma mansoni cell adhesion molecule 0.0043 0.1402 0.1402
Schistosoma mansoni myosin-binding protein-related 0.0095 0.4151 0.4151
Loa Loa (eye worm) hypothetical protein 0.0052 0.1879 0.4527
Loa Loa (eye worm) hypothetical protein 0.0052 0.1879 0.4527
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0059 0.2272 0.2272
Schistosoma mansoni tripartite motif protein trim9 0.0052 0.1879 0.1879
Onchocerca volvulus 0.0052 0.1879 0.4527
Echinococcus multilocularis roundabout 2 0.0095 0.4151 0.4151
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Onchocerca volvulus Peroxidasin homolog 0.0043 0.1402 0.3377
Trichomonas vaginalis protein tyrosine kinase, putative 0.0016 0 0.5
Echinococcus granulosus nephrin 0.0095 0.4151 0.4151
Trichomonas vaginalis AGC family protein kinase 0.0016 0 0.5
Brugia malayi SRC-1 0.0025 0.0434 0.1045
Echinococcus granulosus Fibronectin type III 0.0052 0.1879 0.1879
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.022 0.0529
Echinococcus multilocularis transfer RNA-Phe 0.0095 0.4151 0.4151
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0052 0.1879 0.4527
Schistosoma mansoni titin 0.0043 0.1402 0.1402
Trichomonas vaginalis br serine/threonine-protein kinase, putative 0.0016 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0095 0.4151 1
Echinococcus granulosus tyrosine protein kinase Srms 0.0021 0.022 0.022
Echinococcus multilocularis anosmin 1 0.0052 0.1879 0.1879
Schistosoma mansoni tyrosine kinase 0.0025 0.0434 0.0434
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Onchocerca volvulus 0.0052 0.1879 0.4527
Loa Loa (eye worm) hypothetical protein 0.0021 0.022 0.0529
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.022 0.0529
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Brugia malayi Immunoglobulin I-set domain containing protein 0.0095 0.4151 1
Brugia malayi Prion-like- 0.0043 0.1402 0.3377
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0095 0.4151 1
Echinococcus multilocularis titin 0.0043 0.1402 0.1402
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0016 0 0.5
Echinococcus granulosus leucine rich repeat containing protein 4 0.0043 0.1402 0.1402
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Echinococcus multilocularis hemicentin 1 0.0043 0.1402 0.1402
Loa Loa (eye worm) TK protein kinase 0.0059 0.2272 0.5473
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0025 0.0434 0.0434
Brugia malayi Protein kinase domain containing protein 0.0021 0.022 0.0529
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0052 0.1879 1
Brugia malayi Prion-like- 0.0043 0.1402 0.3377
Loa Loa (eye worm) hypothetical protein 0.0052 0.1879 0.4527
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0052 0.1879 1
Trichomonas vaginalis STE family protein kinase 0.0016 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0021 0.022 0.022
Brugia malayi Fibronectin type III domain containing protein 0.0052 0.1879 0.4527
Trypanosoma brucei Fibronectin type III domain containing protein, putative 0.0052 0.1879 1
Echinococcus multilocularis roundabout 2 0.0095 0.4151 0.4151
Echinococcus granulosus c src tyrosine kinase 0.0025 0.0434 0.0434
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0095 0.4151 1
Schistosoma mansoni septate junction protein 0.0043 0.1402 0.1402
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Brugia malayi protein-tyrosine kinase 0.0021 0.022 0.0529
Schistosoma mansoni cell adhesion molecule 0.0095 0.4151 0.4151
Echinococcus granulosus Opioid binding protein:cell adhesion molecule 0.0043 0.1402 0.1402
Onchocerca volvulus 0.0052 0.1879 0.4527
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0095 0.4151 1
Plasmodium vivax protein kinase, putative 0.0016 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Schistosoma mansoni titin 0.0043 0.1402 0.1402
Onchocerca volvulus 0.0043 0.1402 0.3377
Loa Loa (eye worm) hypothetical protein 0.0095 0.4151 1
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0059 0.2272 0.2272
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0043 0.1402 0.1402
Schistosoma mansoni cell adhesion molecule 0.0043 0.1402 0.1402
Brugia malayi Immunoglobulin I-set domain containing protein 0.0095 0.4151 1
Plasmodium falciparum protein kinase, putative 0.0016 0 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0059 0.2272 0.5473
Trichomonas vaginalis TKL family protein kinase 0.0016 0 0.5
Plasmodium falciparum tyrosine kinase-like protein 0.0016 0 0.5
Onchocerca volvulus 0.0052 0.1879 0.4527
Echinococcus multilocularis Netrin receptor DCC 0.0052 0.1879 0.1879
Schistosoma mansoni titin 0.0052 0.1879 0.1879
Loa Loa (eye worm) hypothetical protein 0.0043 0.1402 0.3377
Echinococcus granulosus pro neuregulin 2 membrane bound 0.0043 0.1402 0.1402
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.1879 0.4527
Brugia malayi Immunoglobulin I-set domain containing protein 0.0095 0.4151 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) 6.5131 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) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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