Detailed information for compound 1508045

Basic information

Technical information
  • TDR Targets ID: 1508045
  • Name: (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2 -(methyl-(2-methylpropyl)amino)-5-(2-methylph enyl)pyrimidin-4-yl]amino]propanoic acid
  • MW: 505.609 | Formula: C28H35N5O4
  • H donors: 2 H acceptors: 5 LogP: 5.65 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(CN(c1ncc(c(n1)N[C@H](C(=O)O)Cc1ccc(cc1)OC(=O)N(C)C)c1ccccc1C)C)C
  • InChi: 1S/C28H35N5O4/c1-18(2)17-33(6)27-29-16-23(22-10-8-7-9-19(22)3)25(31-27)30-24(26(34)35)15-20-11-13-21(14-12-20)37-28(36)32(4)5/h7-14,16,18,24H,15,17H2,1-6H3,(H,34,35)(H,29,30,31)/t24-/m0/s1
  • InChiKey: QWYIHLODVGFLLG-DEOSSOPVSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2-(isobutyl-methyl-amino)-5-(2-methylphenyl)pyrimidin-4-yl]amino]propanoic acid
  • (2S)-3-[4-(dimethylamino-oxomethoxy)phenyl]-2-[[2-(isobutyl-methylamino)-5-(2-methylphenyl)-4-pyrimidinyl]amino]propanoic acid
  • (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2-(isobutyl-methyl-amino)-5-(2-methylphenyl)pyrimidin-4-yl]amino]propionic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens integrin, beta 1 (fibronectin receptor, beta polypeptide, antigen CD29 includes MDF2, MSK12) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Integrin beta-PS precursor, putative 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 beta subunit Get druggable targets OG5_127959 All targets in OG5_127959
Echinococcus multilocularis integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum ko:K06464 integrin beta 2, 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
Echinococcus granulosus integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum Integrin beta-3 precursor, putative 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
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0012 0.0009
Onchocerca volvulus 0.0234 0.0361 0.1041
Onchocerca volvulus GPI ethanolamine phosphate transferase 3 homolog 0.006 0.0039 0.0079
Loa Loa (eye worm) hypothetical protein 0.0382 0.0634 0.0631
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.0179 0.0176
Mycobacterium ulcerans epoxide hydrolase EphA 0.0513 0.0877 0.2579
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1857 0.3366 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.0044 0.0042
Leishmania major tyrosine specific protein phosphatase, putative 0.0234 0.0361 0.269
Brugia malayi Kelch motif family protein 0.0057 0.0034 0.0031
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1857 0.3366 1
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0234 0.0361 0.0082
Brugia malayi hypothetical protein 0.0057 0.0034 0.0031
Mycobacterium ulcerans hypothetical protein 0.006 0.0039 0.0079
Onchocerca volvulus 0.0234 0.0361 0.1041
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1857 0.3366 1
Onchocerca volvulus 0.0234 0.0361 0.1041
Echinococcus granulosus GPCR family 2 0.0063 0.0044 0.0042
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0383 0.0637 0.0637
Schistosoma mansoni hypothetical protein 0.006 0.0039 0.0039
Schistosoma mansoni hypothetical protein 0.0063 0.0044 0.0044
Schistosoma mansoni hypothetical protein 0.006 0.0039 0.0039
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0012 0.0009
Brugia malayi Calcitonin receptor-like protein seb-1 0.02 0.0298 0.0295
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0234 0.0361 0.0359
Loa Loa (eye worm) hypothetical protein 0.0063 0.0044 0.0042
Schistosoma mansoni hypothetical protein 0.006 0.0039 0.0039
Schistosoma mansoni protein tyrosine phosphatase 0.0234 0.0361 0.0361
Brugia malayi hypothetical protein 0.011 0.0132 0.0129
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Loa Loa (eye worm) hypothetical protein 0.0747 0.131 0.1307
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Echinococcus granulosus integrin beta 2 0.028 0.0446 0.0443
Trypanosoma brucei C-8 sterol isomerase, putative 0.0747 0.131 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Onchocerca volvulus 4.1 G protein, putative homolog 0.0234 0.0361 0.1041
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0234 0.0361 0.0361
Brugia malayi Integrin beta pat-3 precursor 0.0378 0.0628 0.0625
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0012 0.0009
Trypanosoma brucei endonuclease G, putative 0.023 0.0353 0.2476
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0827 0.1459 0.1456
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.0103 0.0101
Echinococcus multilocularis integrin beta 2 0.028 0.0446 0.0443
Onchocerca volvulus 0.0234 0.0361 0.1041
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0234 0.0361 0.0359
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0572 0.0987 0.2927
Brugia malayi latrophilin 2 splice variant baaae 0.0137 0.018 0.0178
Trypanosoma brucei endonuclease G, putative 0.023 0.0353 0.2476
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0246 0.0382 0.0379
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.011 0.0132 0.0129
Entamoeba histolytica hypothetical protein 0.011 0.0132 0.0356
Leishmania major C-8 sterol isomerase-like protein 0.0747 0.131 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Echinococcus multilocularis Endonuclease G 0.023 0.0353 0.0351
Mycobacterium ulcerans short chain dehydrogenase 0.1289 0.2314 0.6862
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0246 0.0382 0.0379
Trichomonas vaginalis pten, drome, putative 0.0234 0.0361 0.1066
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0234 0.0361 0.0359
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0234 0.0361 0.0361
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.022 0.0218
Loa Loa (eye worm) hypothetical protein 0.0046 0.0012 0.0009
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0246 0.0382 0.0382
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.006 0.0039 0.0079
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0234 0.0361 0.1041
Brugia malayi hypothetical protein 0.0234 0.0361 0.0359
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0234 0.0361 0.0082
Schistosoma mansoni hypothetical protein 0.0184 0.0268 0.0268
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0234 0.0361 0.0359
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0572 0.0987 0.7464
Schistosoma mansoni hypothetical protein 0.0063 0.0044 0.0044
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0383 0.0637 0.0634
Onchocerca volvulus 0.0185 0.027 0.0769
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0383 0.0637 0.0637
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0383 0.0637 0.0634
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0234 0.0361 0.0359
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.022 0.0218
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Echinococcus granulosus Endonuclease G 0.023 0.0353 0.0351
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0383 0.0637 0.0637
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.0044 0.0042
Schistosoma mansoni integrin beta subunit 0.0223 0.034 0.034
Leishmania major ethanolamine phosphotransferase, putative 0.006 0.0039 0.0205
Onchocerca volvulus 0.0234 0.0361 0.1041
Onchocerca volvulus GPI ethanolamine phosphate transferase 1 homolog 0.006 0.0039 0.0079
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0234 0.0361 0.0359
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0234 0.0361 0.0359
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.0103 0.0101
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0234 0.0361 0.0359
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.0103 0.0272
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0383 0.0637 0.0634
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0246 0.0382 0.0379
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.0044 0.0042
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0246 0.0382 0.0379
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0747 0.131 0.1307
Onchocerca volvulus 0.0234 0.0361 0.1041
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0246 0.0382 0.0379
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0234 0.0361 0.0082
Onchocerca volvulus 0.0234 0.0361 0.1041
Brugia malayi Latrophilin receptor protein 2 0.0063 0.0044 0.0042
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0246 0.0382 0.0379
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0383 0.0637 0.0634
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0246 0.0382 0.0379
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0246 0.0382 0.0379
Loa Loa (eye worm) hypothetical protein 0.0057 0.0034 0.0031
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.022 0.0218
Echinococcus multilocularis protein tyrosine phosphatase n9 0.0234 0.0361 0.0359
Onchocerca volvulus 0.1857 0.3366 1
Mycobacterium leprae hypothetical protein 0.006 0.0039 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0383 0.0637 0.0634
Brugia malayi Protein-tyrosine phosphatase 0.042 0.0704 0.0702
Loa Loa (eye worm) hypothetical protein 0.0137 0.018 0.0178
Schistosoma mansoni receptor protein tyrosine phosphatase r (pcptp1) 0.0234 0.0361 0.0361
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0234 0.0361 0.0359
Echinococcus multilocularis geminin 0.0184 0.0268 0.0265
Echinococcus granulosus transferase 0.006 0.0039 0.0036
Schistosoma mansoni endonuclease related 0.023 0.0353 0.0353
Loa Loa (eye worm) protein-tyrosine-phosphatase 0.0234 0.0361 0.0359
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0246 0.0382 0.0379
Onchocerca volvulus 0.0234 0.0361 0.1041
Brugia malayi AEL166Cp 0.006 0.0039 0.0036
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.023 0.0353 0.5
Schistosoma mansoni hypothetical protein 0.0063 0.0044 0.0044
Onchocerca volvulus 0.0234 0.0361 0.1041
Echinococcus granulosus geminin 0.0184 0.0268 0.0265
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.006 0.0039 0.0079
Onchocerca volvulus 0.0234 0.0361 0.1041
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0234 0.0361 0.0359
Echinococcus granulosus protein tyrosine phosphatase n9 0.0234 0.0361 0.0359
Onchocerca volvulus 0.0092 0.0097 0.0252
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0234 0.0361 0.0361
Echinococcus multilocularis expressed conserved protein 0.0089 0.0093 0.009
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0234 0.0361 0.0359
Brugia malayi hypothetical protein 0.0234 0.0361 0.0359
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.1857 0.3366 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.0044 0.0042
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0234 0.0361 0.0359
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0234 0.0361 0.0361
Onchocerca volvulus Ectonucleotide pyrophosphatase\/phosphodiesterase family member 6 homolog 0.006 0.0039 0.0079
Schistosoma mansoni sterol O-acyltransferase 1 0.0231 0.0355 0.0355
Schistosoma mansoni non-receptor protein-tyrosine phosphatase 0.0234 0.0361 0.0361
Echinococcus multilocularis Alkaline phosphatase, core domain 0.006 0.0039 0.0036
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Loa Loa (eye worm) pigment dispersing factor receptor c 0.02 0.0298 0.0295
Onchocerca volvulus 0.0234 0.0361 0.1041
Loa Loa (eye worm) hypothetical protein 0.0174 0.0249 0.0247
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.1857 0.3366 0.3365
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0246 0.0382 0.0382
Loa Loa (eye worm) hypothetical protein 0.006 0.0039 0.0036
Trypanosoma cruzi hypothetical protein, conserved 0.0572 0.0987 0.6629
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0234 0.0361 0.0359
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0234 0.0361 0.0359
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0234 0.0361 0.0359
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Entamoeba histolytica hypothetical protein 0.011 0.0132 0.0356
Trypanosoma cruzi hypothetical protein, conserved 0.0572 0.0987 0.6629
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0234 0.0361 0.0359
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.006 0.0039 0.0036
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0234 0.0361 0.0359
Plasmodium falciparum GPI ethanolamine phosphate transferase 3, putative 0.006 0.0039 0.5
Onchocerca volvulus 0.0234 0.0361 0.1041
Onchocerca volvulus 0.0383 0.0637 0.1862
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Loa Loa (eye worm) protein-tyrosine phosphatase 1 0.0234 0.0361 0.0359
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0323 0.0525 0.0522
Onchocerca volvulus 0.0234 0.0361 0.1041
Loa Loa (eye worm) hypothetical protein 0.0046 0.0012 0.0009
Schistosoma mansoni hypothetical protein 0.006 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0208 0.0313 0.031
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Onchocerca volvulus 0.0234 0.0361 0.1041
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Loa Loa (eye worm) hypothetical protein 0.0231 0.0355 0.0352
Echinococcus multilocularis GPCR, family 2 0.0063 0.0044 0.0042
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Brugia malayi endonuclease G, mitochondrial precursor 0.023 0.0353 0.0351
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0234 0.0361 0.0359
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.0167 0.0164
Schistosoma mansoni hypothetical protein 0.0184 0.0268 0.0268
Onchocerca volvulus 0.0234 0.0361 0.1041
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0747 0.131 1
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Loa Loa (eye worm) hypothetical protein 0.0383 0.0637 0.0634
Schistosoma mansoni patched 1 0.0041 0.0003 0.0003
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0234 0.0361 0.0359
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.1857 0.3366 0.3365
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0234 0.0361 0.0359
Onchocerca volvulus 0.0383 0.0637 0.1862
Onchocerca volvulus 0.0234 0.0361 0.1041
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0234 0.0361 0.0359
Schistosoma mansoni protein tyrosine phosphatase 0.0234 0.0361 0.0361
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0246 0.0382 0.0379
Onchocerca volvulus GPI ethanolamine phosphate transferase 2 homolog 0.006 0.0039 0.0079
Echinococcus granulosus expressed conserved protein 0.0089 0.0093 0.009
Leishmania major hypothetical protein, conserved 0.0572 0.0987 0.7516
Onchocerca volvulus 0.0234 0.0361 0.1041
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Echinococcus multilocularis gpi ethanolamine phosphate transferase 3 0.006 0.0039 0.0036
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0234 0.0361 0.1041
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0383 0.0637 0.0634
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1857 0.3366 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.022 0.0218
Loa Loa (eye worm) hypothetical protein 0.0174 0.0249 0.0247
Brugia malayi hypothetical protein 0.006 0.0039 0.0036
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Echinococcus multilocularis sterol O acyltransferase 1 0.0231 0.0355 0.0352
Schistosoma mansoni hypothetical protein 0.0137 0.018 0.018
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Schistosoma mansoni hypothetical protein 0.011 0.0132 0.0132
Schistosoma mansoni protein-tyrosine phosphatase n9 0.0234 0.0361 0.0361
Onchocerca volvulus 0.0234 0.0361 0.1041
Loa Loa (eye worm) type I phosphodiesterase/nucleotide pyrophosphatase 0.006 0.0039 0.0036
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0234 0.0361 0.1041
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.0044 0.0042
Trypanosoma brucei endonuclease G, putative 0.023 0.0353 0.2476
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0234 0.0361 0.0359
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0234 0.0361 0.0359
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.006 0.0039 0.0036
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Brugia malayi hypothetical protein 0.0234 0.0361 0.0359
Leishmania major endonuclease G, putative 0.023 0.0353 0.263
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0323 0.0525 0.0522
Brugia malayi Thrombospondin type 1 domain containing protein 0.0827 0.1459 0.1456
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0246 0.0382 0.0382
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0383 0.0637 0.0634
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0234 0.0361 0.0359
Schistosoma mansoni protein tyrosine phosphatase 0.0246 0.0382 0.0382
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.023 0.0353 0.263
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Onchocerca volvulus 0.0234 0.0361 0.1041
Trypanosoma brucei protein tyrosine phosphatase 1 0.0234 0.0361 0.2537
Echinococcus granulosus sterol O acyltransferase 1 0.0231 0.0355 0.0352
Echinococcus multilocularis hypothetical protein 0.0234 0.0361 0.0359
Schistosoma mansoni protein-tyrosine phosphatase non-receptor type nt5 0.0234 0.0361 0.0361
Loa Loa (eye worm) hypothetical protein 0.0046 0.0012 0.0009
Onchocerca volvulus 0.0234 0.0361 0.1041
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0383 0.0637 0.0634
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0234 0.0361 0.0359
Onchocerca volvulus 0.0827 0.1459 0.4313
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.006 0.0039 0.0036
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0234 0.0361 0.0359
Brugia malayi Dual specificity protein phosphatase CDC14B 0.0234 0.0361 0.0359
Brugia malayi hypothetical protein 0.006 0.0039 0.0036
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Entamoeba histolytica hypothetical protein 0.011 0.0132 0.0356
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0234 0.0361 0.0359
Loa Loa (eye worm) hypothetical protein 0.0383 0.0637 0.0634
Brugia malayi Protein-tyrosine phosphatase 1 0.0234 0.0361 0.0359
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.0103 0.0101
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0246 0.0382 0.0382
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0234 0.0361 0.0359
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0234 0.0361 0.0359
Brugia malayi hypothetical protein 0.0234 0.0361 0.0359
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.1285 0.2306 0.9967
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1857 0.3366 1
Giardia lamblia Protein tyrosine phosphatase 0.0234 0.0361 0.0969
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0234 0.0361 0.0359
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1569 0.2833 0.2831
Brugia malayi hypothetical protein 0.0234 0.0361 0.0359
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0234 0.0361 0.0359
Loa Loa (eye worm) hypothetical protein 0.005 0.002 0.0017
Schistosoma mansoni transcription factor LCR-F1 0.011 0.0132 0.0132
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Loa Loa (eye worm) hypothetical protein 0.0095 0.0103 0.0101
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0234 0.0361 0.0359
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0234 0.0361 0.0359
Echinococcus granulosus gpi ethanolamine phosphate transferase 3 0.006 0.0039 0.0036
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1857 0.3366 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0039 0.0036
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1857 0.3366 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0383 0.0637 0.0634
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Brugia malayi Protein-tyrosine phosphatase 0.0234 0.0361 0.0359
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0246 0.0382 0.0382
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.0179 0.0176
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0246 0.0382 0.0379
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.02 0.0298 0.0295
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.011 0.0132 0.0129
Loa Loa (eye worm) hypothetical protein 0.006 0.0039 0.0036
Loa Loa (eye worm) hypothetical protein 0.0323 0.0525 0.0522
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.0106 0.0106
Echinococcus multilocularis receptor type tyrosine protein phosphatase H 0.0234 0.0361 0.0359
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.006 0.0039 0.0036
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Echinococcus multilocularis 0.0234 0.0361 0.0359
Onchocerca volvulus 0.0234 0.0361 0.1041
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0383 0.0637 0.0634
Loa Loa (eye worm) hypothetical protein 0.02 0.0298 0.0295
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Onchocerca volvulus 0.0234 0.0361 0.1041
Schistosoma mansoni hypothetical protein 0.0063 0.0044 0.0044
Mycobacterium tuberculosis Probable oxidoreductase 0.1289 0.2314 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0383 0.0637 0.0634
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0383 0.0637 0.0637
Schistosoma mansoni rgs-gaip interacting protein gipc 0.0234 0.0361 0.0361
Loa Loa (eye worm) hypothetical protein 0.0174 0.0249 0.0247
Schistosoma mansoni hypothetical protein 0.0827 0.1459 0.1459
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0234 0.0361 0.0359
Onchocerca volvulus 0.0234 0.0361 0.1041
Loa Loa (eye worm) integrin beta-2 0.0378 0.0628 0.0625
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.0167 0.0164
Schistosoma mansoni alpha-glucosidase 0.0136 0.0179 0.0179
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1857 0.3366 1
Schistosoma mansoni pcd6 interacting protein-related 0.0234 0.0361 0.0361
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0513 0.0877 0.3758
Echinococcus multilocularis gpi ethanolamine phosphate transferase 1 0.006 0.0039 0.0036
Schistosoma mansoni alpha-glucosidase 0.0136 0.0179 0.0179
Echinococcus multilocularis protein dispatched 1 0.0047 0.0013 0.0011
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.0044 0.0042
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0234 0.0361 0.0359
Loa Loa (eye worm) hypothetical protein 0.0408 0.0684 0.0681
Brugia malayi MH2 domain containing protein 0.013 0.0167 0.0164
Loa Loa (eye worm) hypothetical protein 0.0383 0.0637 0.0634
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.022 0.0218
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Entamoeba histolytica hypothetical protein 0.011 0.0132 0.0356
Leishmania major protein-tyrosine phosphatase 1-like protein 0.0234 0.0361 0.269
Onchocerca volvulus Ectonucleotide pyrophosphatase\/phosphodiesterase family member 7 homolog 0.006 0.0039 0.0079
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0234 0.0361 0.0359
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0057 0.0034 0.0031
Loa Loa (eye worm) hypothetical protein 0.0234 0.0361 0.0359
Echinococcus multilocularis transferase 0.006 0.0039 0.0036
Echinococcus granulosus ectonucleotide 0.0323 0.0525 0.0522
Loa Loa (eye worm) protein tyrosine phosphatase 0.0234 0.0361 0.0359
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0234 0.0361 0.0359
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0383 0.0637 0.0634
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.006 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.006 0.0039 0.0036
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.1857 0.3366 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0572 0.0987 0.2927
Echinococcus multilocularis ectonucleotide 0.0323 0.0525 0.0522
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0234 0.0361 0.0359
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0234 0.0361 0.0359
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0234 0.0361 0.0359
Loa Loa (eye worm) dual specificity protein phosphatase CDC14B 0.0234 0.0361 0.0359
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0234 0.0361 0.0359
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0234 0.0361 0.0359

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7 nM Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis ChEMBL. 21316228

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.