Detailed information for compound 60650

Basic information

Technical information
  • TDR Targets ID: 60650
  • Name: 2-phenylaniline
  • MW: 169.222 | Formula: C12H11N
  • H donors: 1 H acceptors: 0 LogP: 2.87 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccccc1c1ccccc1
  • InChi: 1S/C12H11N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,13H2
  • InChiKey: TWBPWBPGNQWFSJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2-phenylphenyl)amine
  • 2-aminodiphenyl
  • 90-41-5
  • ZINC00967337
  • 07110_FLUKA
  • 2-Biphenylylamine
  • 2-Aminobiphenyl
  • 2-Biphenylamine
  • NSC7661
  • WLN: ZR BR
  • [1,1'-Biphenyl]-2-amine
  • o-Aminobiphenyl
  • o-Aminodiphenyl
  • o-Biphenylamine
  • o-Phenylaniline
  • InChI=1/C12H11N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,13H
  • SBB003867
  • AC-907/25014307
  • AIDS-018985
  • AIDS018985
  • (1,1'-Biphenyl)-2-amine
  • 2-Aminobifenyl [Czech]
  • 4-12-00-03223 (Beilstein Handbook Reference)
  • AI3-00067
  • BRN 0471874
  • Biphenyl-2-ylamine
  • CCRIS 753
  • EINECS 201-990-9
  • HSDB 1324
  • NSC 7661
  • biphenyl-2-amine
  • A42409_SIAL
  • NCGC00091135-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens androgen receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 Starlite/ChEMBL No references
Homo sapiens estrogen receptor 1 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus neuroglian 0.0055 0.038 0.0474
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0097 0.0795 0.0992
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0055 0.038 0.0402
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0097 0.0795 0.0992
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0097 0.0795 0.0992
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0097 0.0795 0.0992
Brugia malayi Protein-tyrosine phosphatase 0.0097 0.0795 0.0431
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Echinococcus granulosus anosmin 1 0.0055 0.038 0.0474
Echinococcus granulosus Fibronectin type III domain containing protein 0.0055 0.038 0.0474
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0395 0.3777 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0097 0.0795 0.0992
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Onchocerca volvulus 4.1 G protein, putative homolog 0.0097 0.0795 0.048
Echinococcus multilocularis Fibronectin, type III 0.0055 0.038 0.0474
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0055 0.038 0.0402
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0097 0.0795 0.0544
Onchocerca volvulus 0.0097 0.0795 0.048
Onchocerca volvulus 0.0097 0.0795 0.048
Echinococcus granulosus Fibronectin type III 0.0055 0.038 0.0474
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0097 0.0795 0.0992
Loa Loa (eye worm) hypothetical protein 0.0961 0.9445 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0152 0.135 0.1685
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0097 0.0795 0.0992
Echinococcus granulosus Netrin receptor DCC 0.0055 0.038 0.0474
Loa Loa (eye worm) hypothetical protein 0.0864 0.8475 0.8973
Brugia malayi hypothetical protein 0.0097 0.0795 0.0431
Loa Loa (eye worm) hypothetical protein 0.0864 0.8475 0.8973
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Echinococcus granulosus roundabout 2 0.0055 0.038 0.0474
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0097 0.0795 0.0842
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Schistosoma mansoni rgs-gaip interacting protein gipc 0.0097 0.0795 0.0544
Echinococcus granulosus Netrin receptor DCC 0.0055 0.038 0.0474
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Schistosoma mansoni pcd6 interacting protein-related 0.0097 0.0795 0.0544
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0097 0.0795 0.0992
Leishmania major protein-tyrosine phosphatase 1-like protein 0.0097 0.0795 0.6258
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0097 0.0795 0.0992
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Leishmania major hypothetical protein, conserved 0.0122 0.1043 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0152 0.135 0.1685
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0097 0.0795 0.0992
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0097 0.0795 0.6258
Echinococcus multilocularis cell adhesion molecule 0.0055 0.038 0.0474
Echinococcus multilocularis roundabout 2 0.0055 0.038 0.0474
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Echinococcus granulosus fibronectin type III domain-containing protein 0.0055 0.038 0.0474
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0122 0.1043 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0097 0.0795 0.0992
Echinococcus multilocularis titin 0.0055 0.038 0.0474
Echinococcus multilocularis roundabout 2 0.0055 0.038 0.0474
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0152 0.135 0.1685
Brugia malayi Protein-tyrosine phosphatase 1 0.0097 0.0795 0.0431
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0152 0.135 0.1271
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0097 0.0795 0.0992
Onchocerca volvulus 0.0097 0.0795 0.048
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0055 0.038 0.0402
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Onchocerca volvulus 0.0097 0.0795 0.048
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Echinococcus multilocularis transfer RNA-Phe 0.0055 0.038 0.0474
Loa Loa (eye worm) protein-tyrosine-phosphatase 0.0097 0.0795 0.0842
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0097 0.0795 0.0992
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0055 0.038 0.0474
Echinococcus granulosus roundabout 2 0.0055 0.038 0.0474
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0055 0.038 0.0474
Onchocerca volvulus 0.0097 0.0795 0.048
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0097 0.0795 0.0431
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0097 0.0795 0.0544
Onchocerca volvulus 0.0097 0.0795 0.048
Schistosoma mansoni protein-tyrosine phosphatase n9 0.0097 0.0795 0.0544
Schistosoma mansoni non-receptor protein-tyrosine phosphatase 0.0097 0.0795 0.0544
Onchocerca volvulus 0.0097 0.0795 0.048
Onchocerca volvulus 0.0097 0.0795 0.048
Onchocerca volvulus 0.0097 0.0795 0.048
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Echinococcus multilocularis Netrin receptor DCC 0.0055 0.038 0.0474
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Echinococcus granulosus EG95 0.0055 0.038 0.0474
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0097 0.0795 0.0842
Trypanosoma cruzi hypothetical protein, conserved 0.0122 0.1043 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0152 0.135 0.1685
Echinococcus granulosus titin 0.0055 0.038 0.0474
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0395 0.3777 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0097 0.0795 0.0992
Loa Loa (eye worm) CAMK protein kinase 0.0055 0.038 0.0402
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0097 0.0795 0.0842
Echinococcus multilocularis roundabout 2 0.0055 0.038 0.0474
Trypanosoma cruzi hypothetical protein, conserved 0.0122 0.1043 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0097 0.0795 0.0992
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0097 0.0795 0.0992
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0152 0.135 0.1271
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0395 0.3777 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0097 0.0795 0.0992
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Echinococcus multilocularis 0.0097 0.0795 0.0992
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0097 0.0795 0.0992
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Echinococcus multilocularis titin 0.0055 0.038 0.0474
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0097 0.0795 0.0842
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0097 0.0795 0.0992
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Loa Loa (eye worm) lethal protein 805 0.0055 0.038 0.0402
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0097 0.0795 0.0544
Schistosoma mansoni protein tyrosine phosphatase 0.0097 0.0795 0.0544
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0097 0.0795 0.0842
Echinococcus granulosus titin 0.0055 0.038 0.0474
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0152 0.135 0.1685
Brugia malayi Dual specificity protein phosphatase CDC14B 0.0097 0.0795 0.0431
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Onchocerca volvulus 0.0395 0.3777 0.3928
Echinococcus multilocularis receptor type tyrosine protein phosphatase H 0.0097 0.0795 0.0992
Echinococcus multilocularis Phosphotidylinositol phosphatase PTPRQ 0.0055 0.038 0.0474
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0097 0.0795 0.6258
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0055 0.038 0.0402
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0152 0.135 0.1685
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0818 0.8013 1
Echinococcus granulosus protein tyrosine phosphatase n9 0.0097 0.0795 0.0992
Onchocerca volvulus 0.0097 0.0795 0.048
Echinococcus granulosus anosmin 1 0.0055 0.038 0.0474
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0152 0.135 0.1685
Onchocerca volvulus 0.0097 0.0795 0.048
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0097 0.0795 0.0842
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0055 0.038 0.0402
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0152 0.135 0.1685
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0097 0.0795 0.0992
Schistosoma mansoni protein tyrosine phosphatase 0.0152 0.135 0.1271
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0122 0.1043 0.0832
Brugia malayi hypothetical protein 0.0097 0.0795 0.0431
Onchocerca volvulus 0.0097 0.0795 0.048
Echinococcus granulosus cell adhesion molecule 0.0055 0.038 0.0474
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0818 0.8013 0.7934
Echinococcus multilocularis anosmin 1 0.0055 0.038 0.0474
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0089 0.0715 0.0892
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Echinococcus granulosus nuclear factor of activated T cells 5 0.0089 0.0715 0.0892
Echinococcus multilocularis protein tyrosine phosphatase n9 0.0097 0.0795 0.0992
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0097 0.0795 0.0842
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0097 0.0795 0.0842
Echinococcus multilocularis Fibronectin type III domain containing protein 0.0055 0.038 0.0474
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0122 0.1043 0.0832
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0097 0.0795 0.0544
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0818 0.8013 1
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0055 0.038 0.0474
Loa Loa (eye worm) protein tyrosine phosphatase 0.0097 0.0795 0.0842
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Onchocerca volvulus 0.0097 0.0795 0.048
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Brugia malayi hypothetical protein 0.0097 0.0795 0.0431
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0395 0.3777 1
Onchocerca volvulus 0.0097 0.0795 0.048
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Echinococcus multilocularis hypothetical protein 0.0097 0.0795 0.0992
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0055 0.038 0.0402
Loa Loa (eye worm) myotactin form A 0.0055 0.038 0.0402
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0097 0.0795 0.0842
Schistosoma mansoni receptor protein tyrosine phosphatase r (pcptp1) 0.0097 0.0795 0.0544
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Onchocerca volvulus 0.092 0.903 1
Onchocerca volvulus 0.0097 0.0795 0.048
Onchocerca volvulus 0.0097 0.0795 0.048
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0097 0.0795 0.0842
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0097 0.0795 0.0842
Trypanosoma brucei protein tyrosine phosphatase 1 0.0097 0.0795 0.6258
Onchocerca volvulus 0.0097 0.0795 0.048
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0395 0.3777 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0395 0.3777 0.5
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0152 0.135 0.1271
Onchocerca volvulus 0.0097 0.0795 0.048
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0055 0.038 0.0402
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0055 0.038 0.0402
Loa Loa (eye worm) hypothetical protein 0.0864 0.8475 0.8973
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0055 0.038 0.0474
Schistosoma mansoni protein tyrosine phosphatase 0.0097 0.0795 0.0544
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0152 0.135 0.1271
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0152 0.135 0.1685
Loa Loa (eye worm) projectin 0.0055 0.038 0.0402
Brugia malayi hypothetical protein 0.0097 0.0795 0.0431
Echinococcus multilocularis neuroglian 0.0055 0.038 0.0474
Onchocerca volvulus 0.0097 0.0795 0.048
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Schistosoma mansoni protein-tyrosine phosphatase non-receptor type nt5 0.0097 0.0795 0.0544
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0097 0.0795 0.0842
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Onchocerca volvulus 0.0097 0.0795 0.048
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0097 0.0795 0.0992
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0055 0.038 0.0474
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0395 0.3777 0.3531
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0097 0.0795 0.0992
Brugia malayi hypothetical protein 0.0097 0.0795 0.0431
Echinococcus multilocularis anosmin 1 0.0055 0.038 0.0474
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0152 0.135 0.1429
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0055 0.038 0.0474
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0395 0.3777 0.3999
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Onchocerca volvulus 0.0097 0.0795 0.048
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0097 0.0795 0.0842
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0055 0.038 0.0474
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0395 0.3777 1
Echinococcus multilocularis Netrin receptor DCC 0.0055 0.038 0.0474
Echinococcus multilocularis usherin 0.0055 0.038 0.0474
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0097 0.0795 0.0842
Loa Loa (eye worm) UNCoordinated family member 0.0055 0.038 0.0402
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Echinococcus granulosus roundabout 2 0.0055 0.038 0.0474
Echinococcus granulosus usherin 0.0055 0.038 0.0474
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0395 0.3777 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Echinococcus multilocularis fibronectin type III domain-containing protein 0.0055 0.038 0.0474
Onchocerca volvulus 0.0097 0.0795 0.048
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0273 0.2559 0.5
Echinococcus granulosus nephrin 0.0055 0.038 0.0474
Echinococcus granulosus contactin 0.0055 0.038 0.0474
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0097 0.0795 0.0992
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0097 0.0795 0.0992
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0152 0.135 0.1685
Echinococcus granulosus anosmin 1 0.0055 0.038 0.0474
Loa Loa (eye worm) protein-tyrosine phosphatase 1 0.0097 0.0795 0.0842
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0055 0.038 0.0402
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0097 0.0795 0.6258
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0055 0.038 0.0402
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0818 0.8013 0.8484
Onchocerca volvulus 0.0097 0.0795 0.048
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0097 0.0795 0.0431
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Echinococcus granulosus G1Y162 protein 0.0055 0.038 0.0474
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0818 0.8013 1
Echinococcus multilocularis anosmin 1 0.0055 0.038 0.0474
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0395 0.3777 1
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0097 0.0795 0.0992
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0097 0.0795 0.0992
Leishmania major tyrosine specific protein phosphatase, putative 0.0097 0.0795 0.6258
Loa Loa (eye worm) hypothetical protein 0.0097 0.0795 0.0842
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0395 0.3777 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.038 0.0402
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0152 0.135 0.1271
Loa Loa (eye worm) dual specificity protein phosphatase CDC14B 0.0097 0.0795 0.0842

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 0 pm/min/mg Specific activity of expressed human recombinant UGT2A1 ChEMBL. 10836148
Activity (ADMET) = 9 pm/min/mg Specific activity of expressed human recombinant UGT1A8 ChEMBL. 10836148
Activity (ADMET) = 11 pm/min/mg Specific activity of expressed human recombinant UGT1A3 ChEMBL. 10836148
Activity (ADMET) = 460 pm/min/mg Specific activity of expressed human recombinant UGT1A4 ChEMBL. 10836148
IC50 (functional) = 2.9 ug ml-1 Cytotoxicity against human MCF7 cells assessed as reduction in cell growth after 3 days by MTT assay ChEMBL. 27259399
IC50 (functional) = 16 ug ml-1 Cytotoxicity against human HT-29 cells assessed as reduction in cell growth after 3 days by MTT assay ChEMBL. 27259399
IC50 (ADMET) = 54.9 ug ml-1 Cytotoxicity against HEK293 cells assessed as reduction in cell growth after 3 days by MTT assay ChEMBL. 27259399
Inhibition (binding) = 36 % Inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate hydrolysis at 1 mM by rapid green malachite assay ChEMBL. 26599519
Km (binding) = 47 uM Binding affinity of the compound against human UDP Glucuronosyltransferase 1A4 (UGT1A4) ChEMBL. 12699380
Km,app (binding) = 47 uM Binding affinity of the compound against human UDP Glucuronosyltransferase 1A4 (UGT1A4) ChEMBL. 12699380
Potency (functional) 0.0017 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of estrogen receptor alpha signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of androgen receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 42.1632 uM PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor delta signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-022. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-012. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-014. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 27259399

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

3 literature references were collected for this gene.

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