Detailed information for compound 323437

Basic information

Technical information
  • TDR Targets ID: 323437
  • Name: 3-(1,3-benzodioxol-5-yl)-3-[1-[4-(5,6,7,8-tet rahydro-1,8-naphthyridin-2-yl)butanoyl]piperi din-4-yl]propanoic acid
  • MW: 479.568 | Formula: C27H33N3O5
  • H donors: 2 H acceptors: 4 LogP: 3.45 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CC(c1ccc2c(c1)OCO2)C1CCN(CC1)C(=O)CCCc1ccc2c(n1)NCCC2
  • InChi: 1S/C27H33N3O5/c31-25(5-1-4-21-8-6-19-3-2-12-28-27(19)29-21)30-13-10-18(11-14-30)22(16-26(32)33)20-7-9-23-24(15-20)35-17-34-23/h6-9,15,18,22H,1-5,10-14,16-17H2,(H,28,29)(H,32,33)
  • InChiKey: HOXCYDQJLHZQJW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(1,3-benzodioxol-5-yl)-3-[1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]-4-piperidyl]propanoic acid
  • 3-(1,3-benzodioxol-5-yl)-3-[1-[1-oxo-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-4-piperidinyl]propanoic acid
  • 3-(1,3-benzodioxol-5-yl)-3-[1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]-4-piperidyl]propionic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens integrin, beta 3 (platelet glycoprotein IIIa, antigen CD61) Starlite/ChEMBL References
Homo sapiens integrin, alpha 2b (platelet glycoprotein IIb of IIb/IIIa complex, antigen CD41) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus integrin alpha 3 Get druggable targets OG5_129341 All targets in OG5_129341
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129341 All targets in OG5_129341
Echinococcus multilocularis integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Brugia malayi Integrin alpha pat-2 precursor Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma japonicum IPR013513,Integrin alpha chain, C-terminal cytoplasmic region,domain-containing Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma japonicum ko:K06476 integrin alpha 2B, putative Get druggable targets OG5_129341 All targets in OG5_129341
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma japonicum ko:K06464 integrin beta 2, putative Get druggable targets OG5_127959 All targets in OG5_127959
Echinococcus multilocularis integrin alpha 3 Get druggable targets OG5_129341 All targets in OG5_129341
Echinococcus granulosus integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Loa Loa (eye worm) integrin alpha pat-2 Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma mansoni integrin beta subunit Get druggable targets OG5_127959 All targets in OG5_127959
Brugia malayi Integrin beta pat-3 precursor Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma mansoni integrin alpha Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma japonicum Integrin beta-3 precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum Integrin beta-PS precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
Loa Loa (eye worm) integrin beta-2 Get druggable targets OG5_127959 All targets in OG5_127959
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
Echinococcus granulosus oxysterol binding protein 1 0.022 0.0149 0.0149
Schistosoma mansoni dynamin 0.022 0.0149 0.0068
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.2688 0.3248 0.4811
Schistosoma mansoni serine/threonine kinase 0.2688 0.3248 0.4769
Loa Loa (eye worm) AGC/PKN protein kinase 0.2688 0.3248 0.3248
Echinococcus granulosus calcium dependent secretion activator 1 0.022 0.0149 0.0149
Trichomonas vaginalis AGC family protein kinase 0.8064 1 1
Schistosoma mansoni serine/threonine protein kinase 0.2688 0.3248 0.4769
Brugia malayi TBC domain containing protein 0.022 0.0149 0.0102
Brugia malayi Cadps2 protein 0.022 0.0149 0.0102
Brugia malayi probable spectrin beta chain 0.022 0.0149 0.0102
Entamoeba histolytica protein kinase, putative 0.0278 0.0222 0.0074
Trichomonas vaginalis AGC family protein kinase 0.8064 1 1
Echinococcus multilocularis cytohesin 1 0.022 0.0149 0.0149
Echinococcus multilocularis oxysterol binding protein 3 0.022 0.0149 0.0149
Trypanosoma brucei Serine/threonine-protein kinase NEK21, putative 0.0278 0.0222 0.0074
Onchocerca volvulus 0.022 0.0149 0.5
Schistosoma mansoni goodpasture antigen-binding protein 0.022 0.0149 0.0068
Echinococcus multilocularis Pleckstrin y 0.022 0.0149 0.0149
Brugia malayi Syntrophin-1 0.022 0.0149 0.0102
Plasmodium vivax calcium-dependent protein kinase 7, putative 0.0278 0.0222 0.0116
Schistosoma mansoni phosphoinositol 4-phosphate adaptor protein 0.022 0.0149 0.0068
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Echinococcus multilocularis DCC interacting protein 13 beta 0.022 0.0149 0.0149
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Brugia malayi GTPase-activator protein for Ras-like GTPase containing protein 0.022 0.0149 0.0102
Brugia malayi Integrin beta pat-3 precursor 0.0378 0.0347 0.0301
Entamoeba histolytica hypothetical protein 0.0278 0.0222 0.0074
Echinococcus granulosus myotubularin protein 13 0.022 0.0149 0.0149
Trypanosoma brucei protein kinase, putative 0.0278 0.0222 0.0074
Echinococcus multilocularis serine:threonine protein kinase N2 0.2688 0.3248 0.4811
Brugia malayi Variant SH3 domain containing protein 0.022 0.0149 0.0102
Echinococcus granulosus protein kinase C gamma type 0.2688 0.3248 0.4811
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.2688 0.3248 0.4811
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Echinococcus multilocularis FERM and pleckstrin domain containing protein 0.022 0.0149 0.0149
Echinococcus granulosus integrin beta 2 0.028 0.0224 0.0262
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.2688 0.3248 0.4811
Schistosoma mansoni guanyl-nucleotide exchange factor 0.022 0.0149 0.0068
Loa Loa (eye worm) AGC/AKT protein kinase 0.8064 1 1
Echinococcus granulosus serine:threonine protein kinase N2 0.2688 0.3248 0.4811
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.2688 0.3248 0.3248
Onchocerca volvulus Protein melted homolog 0.022 0.0149 0.5
Echinococcus multilocularis collagen type iv alpha 3 binding protein 0.022 0.0149 0.0149
Trypanosoma cruzi NIMA-related kinase, putative 0.0278 0.0222 0.0111
Echinococcus multilocularis protein kinase c iota type 0.2688 0.3248 0.4811
Echinococcus granulosus type II inositol 34 bisphosphate 4 phosphatase 0.022 0.0149 0.0149
Schistosoma mansoni serine/threonine-protein kinase 0.5434 0.6697 1
Schistosoma mansoni zinc finger protein 0.022 0.0149 0.0068
Giardia lamblia Kinase, AGC PKA 0.5213 0.642 0.5
Echinococcus multilocularis Arf GAP and Pleckstrin domain containing protein 0.022 0.0149 0.0149
Echinococcus granulosus ras specific guanine nucleotide releasing factor 0.022 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Loa Loa (eye worm) Plekhf2 protein 0.022 0.0149 0.0149
Schistosoma mansoni hypothetical protein 0.022 0.0149 0.0068
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.7843 0.9723 0.9723
Echinococcus multilocularis Ras associated and pleckstrin y 0.022 0.0149 0.0149
Leishmania major folate/biopterin transporter, putative 0.0278 0.0222 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.5434 0.6697 1
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Brugia malayi Dynamin 0.022 0.0149 0.0102
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Schistosoma mansoni rho gtpase activating protein 0.022 0.0149 0.0068
Loa Loa (eye worm) hypothetical protein 0.0145 0.0054 0.0054
Echinococcus multilocularis Glutaredoxin protein 5 0.5156 0.6347 0.9474
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.2688 0.3248 0.4811
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Schistosoma mansoni oxysterol-binding protein 1 0.022 0.0149 0.0068
Brugia malayi MAX-1A 0.022 0.0149 0.0102
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.2688 0.3248 0.3248
Loa Loa (eye worm) integrin alpha pat-2 0.0285 0.023 0.023
Brugia malayi Integrin alpha pat-2 precursor 0.0185 0.0104 0.0057
Onchocerca volvulus Abnormal cell migration protein 10 homolog 0.022 0.0149 0.5
Entamoeba histolytica protein kinase, putative 0.0278 0.0222 0.0074
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.0278 0.0222 0.0111
Schistosoma mansoni goodpasture antigen-binding protein 0.022 0.0149 0.0068
Echinococcus multilocularis pleckstrin y domain containing family A 0.022 0.0149 0.0149
Trichomonas vaginalis AGC family protein kinase 0.2688 0.3248 0.3146
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0278 0.0222 1
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.0278 0.0222 0.0111
Echinococcus granulosus collagen type iv alpha 3 binding protein 0.022 0.0149 0.0149
Schistosoma mansoni development and differentiation-enhancing factor ddef 0.022 0.0149 0.0068
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.5156 0.6347 0.9474
Echinococcus multilocularis oxysterol binding protein 9 0.022 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Echinococcus granulosus NDR protein kinase 0.2688 0.3248 0.4811
Schistosoma mansoni hypothetical protein 0.022 0.0149 0.0068
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Schistosoma mansoni oxysterol-binding protein 1 0.022 0.0149 0.0068
Echinococcus multilocularis nervana 2 0.5156 0.6347 0.9474
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Schistosoma mansoni dynamin 0.022 0.0149 0.0068
Echinococcus multilocularis beta 1 syntrophin 0.022 0.0149 0.0149
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.5213 0.642 0.9584
Loa Loa (eye worm) integrin beta-2 0.0378 0.0347 0.0347
Echinococcus granulosus Rho GTPase activating protein 24 0.022 0.0149 0.0149
Loa Loa (eye worm) PH domain-containing protein 0.022 0.0149 0.0149
Schistosoma mansoni serine/threonine protein kinase 0.2688 0.3248 0.4769
Schistosoma mansoni integrin beta subunit 0.0223 0.0152 0.0073
Loa Loa (eye worm) uncoordinated protein 104 0.022 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Brugia malayi PH domain containing protein 0.022 0.0149 0.0102
Echinococcus granulosus arf GAP with coiled coil ANK repeat and PH 0.022 0.0149 0.0149
Echinococcus granulosus Glutaredoxin protein 5 0.5156 0.6347 0.9474
Onchocerca volvulus 0.022 0.0149 0.5
Onchocerca volvulus 0.022 0.0149 0.5
Schistosoma mansoni rhogef and pleckstrin domain protein 0.022 0.0149 0.0068
Trichomonas vaginalis AGC family protein kinase 0.8064 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.5434 0.6697 0.6647
Brugia malayi p70 ribosomal S6 kinase beta 0.7843 0.9723 0.9722
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Schistosoma mansoni serine/threonine protein kinase 0.2688 0.3248 0.4769
Echinococcus multilocularis actin binding protein anillin 0.022 0.0149 0.0149
Echinococcus multilocularis GRB2 associated binding protein 3 0.022 0.0149 0.0149
Trypanosoma brucei serine/threonine-protein kinase NRKB, putative 0.0278 0.0222 0.0074
Trypanosoma cruzi serine/threonine-protein kinase NRKB, putative 0.0278 0.0222 0.0111
Brugia malayi Dynamin 0.022 0.0149 0.0102
Echinococcus granulosus protein kinase c iota type 0.2688 0.3248 0.4811
Brugia malayi Oxysterol binding protein 0.022 0.0149 0.0102
Schistosoma mansoni serine/threonine-protein kinase 0.5434 0.6697 1
Loa Loa (eye worm) GTP-ase activating protein for Arf containing protein 0.022 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Trichomonas vaginalis AGC family protein kinase 0.2908 0.3525 0.3427
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Schistosoma mansoni growth factor receptor-bound protein 0.022 0.0149 0.0068
Echinococcus granulosus pleckstrin y domain containing family A 0.022 0.0149 0.0149
Brugia malayi Protein kinase domain containing protein 0.2688 0.3248 0.3216
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Schistosoma mansoni serine/threonine protein kinase 0.2688 0.3248 0.4769
Entamoeba histolytica hypothetical protein 0.0278 0.0222 0.0074
Brugia malayi PH domain containing protein 0.022 0.0149 0.0102
Schistosoma mansoni serine/threonine protein kinase 0.2688 0.3248 0.4769
Echinococcus multilocularis Protein kinase C, brain isozyme 0.2688 0.3248 0.4811
Brugia malayi PH domain containing protein 0.022 0.0149 0.0102
Echinococcus multilocularis protein kinase c epsilon type 0.2688 0.3248 0.4811
Onchocerca volvulus 0.022 0.0149 0.5
Trichomonas vaginalis AGC family protein kinase 0.8064 1 1
Schistosoma mansoni hypothetical protein 0.022 0.0149 0.0068
Echinococcus multilocularis integrin beta 2 0.028 0.0224 0.0262
Brugia malayi Oxysterol-binding protein 0.022 0.0149 0.0102
Echinococcus granulosus protein kinase c epsilon type 0.2688 0.3248 0.4811
Trypanosoma cruzi NEK family Serine/threonine-protein kinase, putative 0.0278 0.0222 0.0111
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.5213 0.642 1
Echinococcus granulosus Oxysterol binding protein 11 0.022 0.0149 0.0149
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0278 0.0222 0.0111
Brugia malayi Hr1 repeat family protein 0.2688 0.3248 0.3216
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.2688 0.3248 0.3248
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Brugia malayi Variant SH3 domain containing protein 0.022 0.0149 0.0102
Echinococcus granulosus Pleckstrin y 0.022 0.0149 0.0149
Entamoeba histolytica protein kinase, putative 0.0278 0.0222 0.0074
Brugia malayi Plekhf2 protein 0.022 0.0149 0.0102
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.5156 0.6347 0.9474
Schistosoma mansoni hypothetical protein 0.022 0.0149 0.0068
Brugia malayi GnHR receptor homolog 0.3454 0.4211 0.4183
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0278 0.0222 0.0111
Echinococcus granulosus dynamin 1 0.022 0.0149 0.0149
Onchocerca volvulus 0.022 0.0149 0.5
Echinococcus granulosus oxysterol binding protein 9 0.022 0.0149 0.0149
Echinococcus multilocularis arf GAP with coiled coil, ANK repeat and PH 0.022 0.0149 0.0149
Trichomonas vaginalis 3-phosphoinositide dependent protein kinase-1, putative 0.0278 0.0222 0.0074
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.263 0.3175 0.3072
Trypanosoma cruzi Protein kinase B 0.5434 0.6697 1
Entamoeba histolytica protein kinase, putative 0.8064 1 1
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Entamoeba histolytica protein kinase, putative 0.2688 0.3248 0.3146
Schistosoma mansoni serine/threonine protein kinase 0.2688 0.3248 0.4769
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Brugia malayi GTP-ase activating protein for Arf containing protein 0.022 0.0149 0.0102
Brugia malayi PH domain containing protein 0.022 0.0149 0.0102
Echinococcus multilocularis Oxysterol binding protein 11 0.022 0.0149 0.0149
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Entamoeba histolytica protein kinase, putative 0.7843 0.9723 0.9719
Echinococcus multilocularis dynamin 1 0.022 0.0149 0.0149
Leishmania major protein kinase, putative,serine/threonine protein kinase, putative 0.0278 0.0222 1
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.0278 0.0222 0.0111
Echinococcus granulosus Arf GAP and Pleckstrin domain containing protein 0.022 0.0149 0.0149
Entamoeba histolytica protein kinase, putative 0.0278 0.0222 0.0074
Loa Loa (eye worm) oxysterol binding protein 0.022 0.0149 0.0149
Echinococcus multilocularis arf GAP with SH3 domain, ANK repeat and PH 0.022 0.0149 0.0149
Brugia malayi Cytohesin 3 0.022 0.0149 0.0102
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.5213 0.642 0.9584
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Echinococcus multilocularis calcium dependent secretion activator 1 0.022 0.0149 0.0149
Loa Loa (eye worm) syntrophin-1 0.022 0.0149 0.0149
Entamoeba histolytica PH domain containing protein kinase, putative 0.0278 0.0222 0.0074
Schistosoma mansoni atypical protein kinase C 0.2688 0.3248 0.4769
Echinococcus multilocularis Pleckstrin y 0.022 0.0149 0.0149
Schistosoma mansoni syntrophin 0.022 0.0149 0.0068
Echinococcus granulosus Protein kinase C brain isozyme 0.2688 0.3248 0.4811
Loa Loa (eye worm) RhoGEF domain-containing protein 0.022 0.0149 0.0149
Echinococcus multilocularis serine:threonine protein kinase N2 0.2688 0.3248 0.4811
Echinococcus granulosus FERM and pleckstrin domain containing protein 0.022 0.0149 0.0149
Echinococcus multilocularis ras specific guanine nucleotide releasing factor 0.022 0.0149 0.0149
Trichomonas vaginalis AGC family protein kinase 0.2688 0.3248 0.3146
Trypanosoma brucei rac serine-threonine kinase, putative 0.8064 1 1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.2688 0.3248 0.4811
Echinococcus multilocularis Pleckstrin y 0.022 0.0149 0.0149
Echinococcus multilocularis myotubularin protein 13 0.022 0.0149 0.0149
Echinococcus multilocularis oxysterol binding protein 1 0.022 0.0149 0.0149
Echinococcus granulosus GRB2 associated binding protein 3 0.022 0.0149 0.0149
Trypanosoma cruzi rac serine-threonine kinase, putative 0.5213 0.642 0.9577
Schistosoma mansoni centaurin alpha 0.022 0.0149 0.0068
Brugia malayi PH domain containing protein 0.022 0.0149 0.0102
Echinococcus multilocularis nervana 2 0.5156 0.6347 0.9474
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Entamoeba histolytica p21-activated kinase 0.0278 0.0222 0.0074
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Echinococcus granulosus Pleckstrin y 0.022 0.0149 0.0149
Brugia malayi GTP-ase activating protein for Arf containing protein 0.022 0.0149 0.0102
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.2688 0.3248 0.3248
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.2688 0.3248 0.3248
Trypanosoma cruzi NIMA-related kinase, putative 0.0278 0.0222 0.0111
Brugia malayi PH domain containing protein 0.022 0.0149 0.0102
Echinococcus multilocularis rac serine:threonine kinase 0.5434 0.6697 1
Onchocerca volvulus 0.022 0.0149 0.5
Entamoeba histolytica PH domain containing protein kinase, putative 0.0278 0.0222 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Entamoeba histolytica protein kinase 2, putative 0.5213 0.642 0.6366
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.0278 0.0222 0.0111
Brugia malayi PH domain containing protein 0.022 0.0149 0.0102
Echinococcus granulosus pdz domain containing protein 0.022 0.0149 0.0149
Echinococcus granulosus arf GAP with SH3 domain ANK repeat and PH 0.022 0.0149 0.0149
Toxoplasma gondii protein kinase domain-containing protein 0.0278 0.0222 0.0076
Echinococcus granulosus Pleckstrin y 0.022 0.0149 0.0149
Echinococcus granulosus Pleckstrin domain containing protein family B 0.022 0.0149 0.0149
Trichomonas vaginalis ribosomal protein S6 kinase, 90kD, polypeptide, putative 0.0278 0.0222 0.0074
Echinococcus multilocularis pdz domain containing protein 0.022 0.0149 0.0149
Brugia malayi PH domain containing protein 0.022 0.0149 0.0102
Leishmania major serine/threonine-protein kinase a, putative 0.0278 0.0222 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.5434 0.6697 0.6647
Echinococcus granulosus beta 1 syntrophin 0.022 0.0149 0.0149
Echinococcus granulosus DCC interacting protein 13 beta 0.022 0.0149 0.0149
Echinococcus granulosus oxysterol binding protein 3 0.022 0.0149 0.0149
Entamoeba histolytica protein kinase, putative 0.0278 0.0222 0.0074
Trichomonas vaginalis AGC family protein kinase 0.8064 1 1
Echinococcus multilocularis Pleckstrin domain containing protein, family B 0.022 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Brugia malayi protein kinase C II. 0.2688 0.3248 0.3216
Onchocerca volvulus Putative neuronal RhoA GEF protein 0.022 0.0149 0.5
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.5213 0.642 1
Trichomonas vaginalis AGC family protein kinase 0.8064 1 1
Schistosoma mansoni vav2 0.022 0.0149 0.0068
Echinococcus granulosus serine/threonine protein kinase 0.5434 0.6697 1
Echinococcus multilocularis Rho GTPase activating protein 24 0.022 0.0149 0.0149
Schistosoma mansoni zinc finger protein 0.022 0.0149 0.0068
Brugia malayi Protein kinase domain containing protein 0.2688 0.3248 0.3216
Entamoeba histolytica protein kinase, putative 0.8064 1 1
Onchocerca volvulus outspread protein homolog 0.022 0.0149 0.5
Toxoplasma gondii calcium dependent protein kinase CDPK7 0.0278 0.0222 0.0076
Schistosoma mansoni serine/threonine protein kinase 0.2688 0.3248 0.4769
Echinococcus multilocularis type II inositol 3,4 bisphosphate 4 phosphatase 0.022 0.0149 0.0149
Toxoplasma gondii AGC kinase 0.7843 0.9723 1
Onchocerca volvulus 0.022 0.0149 0.5
Brugia malayi Pleckstrin Homology Domain 0.022 0.0149 0.0102
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Entamoeba histolytica PH domain containing protein kinase, putative 0.0278 0.0222 0.0074
Brugia malayi PH domain containing protein 0.022 0.0149 0.0102
Plasmodium falciparum calcium-dependent protein kinase 7 0.0278 0.0222 0.0116
Brugia malayi Uncoordinated protein 104 0.022 0.0149 0.0102
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.2688 0.3248 0.4811
Loa Loa (eye worm) cytohesin 3 0.022 0.0149 0.0149
Echinococcus granulosus nervana 2 0.5156 0.6347 0.9474
Echinococcus granulosus nervana 2 0.5156 0.6347 0.9474
Trypanosoma brucei NEK family Serine/threonine-protein kinase, putative 0.0278 0.0222 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Schistosoma mansoni hypothetical protein 0.022 0.0149 0.0068
Echinococcus granulosus cytohesin 1 0.022 0.0149 0.0149
Echinococcus granulosus serine threonine protein kinase nrc 0.5213 0.642 0.9584
Loa Loa (eye worm) hypothetical protein 0.014 0.0047 0.0047
Leishmania major protein kinase, putative 0.0278 0.0222 1
Trichomonas vaginalis AGC family protein kinase 0.0278 0.0222 0.0074
Trypanosoma brucei serine/threonine-protein kinase NrkA 0.0278 0.0222 0.0074
Brugia malayi hypothetical protein 0.022 0.0149 0.0102
Loa Loa (eye worm) rho-GTPase-activating 0.022 0.0149 0.0149
Echinococcus multilocularis serine:threonine protein kinase 38 0.2688 0.3248 0.4811
Trichomonas vaginalis AGC family protein kinase 0.2688 0.3248 0.3146
Echinococcus multilocularis serine threonine protein kinase 0.2688 0.3248 0.4811
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Schistosoma mansoni myotubularin-related protein 0.022 0.0149 0.0068
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Onchocerca volvulus Putative zinc finger protein 0.022 0.0149 0.5
Loa Loa (eye worm) AGC/NDR protein kinase 0.2688 0.3248 0.3248
Loa Loa (eye worm) hypothetical protein 0.022 0.0149 0.0149
Loa Loa (eye worm) variant SH3 domain-containing protein 0.022 0.0149 0.0149
Trichomonas vaginalis AGC family protein kinase 0.8064 1 1
Leishmania major protein kinase, putative 0.0278 0.0222 1
Loa Loa (eye worm) GTP-ase activating protein for Arf containing protein 0.022 0.0149 0.0149
Entamoeba histolytica PH domain containing protein kinase, putative 0.0278 0.0222 0.0074

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.9 nM Inhibition of human vitronectin binding to immobilized Alpha v beta-3 ChEMBL. 15380233
IC50 (binding) = 1.9 nM Inhibition of human vitronectin binding to immobilized Alpha v beta-3 ChEMBL. 15380233
IC50 (binding) = 33.5 nM Inhibition of human Biotinylated Fg binding to immobilized Alpha II biotinylated Fg beta-5 ChEMBL. 15380233
IC50 (binding) = 4030 nM Inhibition of human Biotinylated Fg binding to immobilized Alpha II beta-3 ChEMBL. 15380233
IC50 (binding) = 4030 nM Inhibition of human Biotinylated Fg binding to immobilized Alpha II beta-3 ChEMBL. 15380233

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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