Detailed information for compound 1780644

Basic information

Technical information
  • TDR Targets ID: 1780644
  • Name: 1-[3-(4-amino-7-propan-2-ylpyrrolo[5,4-d]pyri midine-5-carbonyl)phenyl]-3-(4-chlorophenyl)u rea
  • MW: 448.905 | Formula: C23H21ClN6O2
  • H donors: 3 H acceptors: 4 LogP: 3.5 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)Cl)Nc1cccc(c1)C(=O)c1cn(c2c1c(N)ncn2)C(C)C
  • InChi: 1S/C23H21ClN6O2/c1-13(2)30-11-18(19-21(25)26-12-27-22(19)30)20(31)14-4-3-5-17(10-14)29-23(32)28-16-8-6-15(24)7-9-16/h3-13H,1-2H3,(H2,25,26,27)(H2,28,29,32)
  • InChiKey: BAABCALYOOIAEM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[3-(4-amino-7-isopropyl-pyrrolo[5,4-d]pyrimidine-5-carbonyl)phenyl]-3-(4-chlorophenyl)urea
  • 1-[3-[(4-amino-7-isopropyl-5-pyrrolo[5,4-d]pyrimidinyl)-oxomethyl]phenyl]-3-(4-chlorophenyl)urea
  • 1-[3-(4-amino-7-propan-2-yl-pyrrolo[5,4-d]pyrimidin-5-yl)carbonylphenyl]-3-(4-chlorophenyl)urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens fibroblast growth factor receptor 1 References
Homo sapiens kinase insert domain receptor Starlite/ChEMBL References
Homo sapiens platelet-derived growth factor receptor, beta polypeptide Starlite/ChEMBL References
Homo sapiens epidermal growth factor receptor Starlite/ChEMBL References
Homo sapiens fibroblast growth factor receptor 2 Starlite/ChEMBL References
Homo sapiens fibroblast growth factor receptor 3 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum expressed protein Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum IPR000494,EGF receptor, L domain,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus melanoma receptor tyrosine protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Fibroblast growth factor receptor precursor, putative Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus multilocularis fibroblast growth factor receptor 4 Get druggable targets OG5_128769 All targets in OG5_128769
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_128769 All targets in OG5_128769
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-4 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-2 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum ko:K05085 receptor tyrosine-protein kinase erbB-4, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Brugia malayi Furin-like cysteine rich region family protein Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus fibroblast growth factor receptor 4 Get druggable targets OG5_128769 All targets in OG5_128769
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus basic fibroblast growth factor receptor 1 A Get druggable targets OG5_128769 All targets in OG5_128769
Schistosoma japonicum Tyrosine-protein kinase transforming protein erbB, putative Get druggable targets OG5_128597 All targets in OG5_128597
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_128769 All targets in OG5_128769
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Loa Loa (eye worm) TK/EGFR protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Schistosoma japonicum IPR002048,Calcium-binding EF-hand;IPR001245,Tyrosine protein kinase;IPR000719,Protein kinase;IPR011009,Protein kinase-like,domai Get druggable targets OG5_128769 All targets in OG5_128769
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 Immunoglobulin I-set domain containing protein 0.003 0.0224 0.0245
Echinococcus multilocularis tyrosine protein kinase otk 0.003 0.0224 0.0256
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0033 0.0305 0.0333
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.003 0.0224 0.0245
Echinococcus granulosus insulin receptor 0.0064 0.1002 0.1147
Echinococcus multilocularis lachesin 0.003 0.0224 0.0256
Echinococcus granulosus roundabout 2 0.0066 0.1054 0.1206
Leishmania major glucose transporter, lmgt1 0.0034 0.0314 0.6871
Schistosoma mansoni tyrosine kinase 0.0096 0.1727 0.1977
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0289 0.0331
Plasmodium falciparum calcium-dependent protein kinase 3 0.0033 0.0305 0.0207
Echinococcus multilocularis neuroglian 0.0054 0.0783 0.0896
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0305 0.0348
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0025 0.0119 0.0136
Echinococcus multilocularis epidermal growth factor receptor 0.0103 0.1894 0.2167
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0314 0.6871
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0032 0.0289 0.0316
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.003 0.0224 0.0256
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0314 0.1423
Loa Loa (eye worm) hypothetical protein 0.0037 0.0381 0.0417
Echinococcus granulosus epidermal growth factor receptor 0.0186 0.3788 0.4335
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0037 0.0381 0.0436
Loa Loa (eye worm) hypothetical protein 0.0037 0.0381 0.0417
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0032 0.0289 0.0316
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.01 0.5
Echinococcus granulosus calcium dependent protein kinase 0.0031 0.0258 0.0295
Leishmania major glucose transporter, lmgt3 0.0034 0.0314 0.6871
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.0224 0.0245
Loa Loa (eye worm) hypothetical protein 0.003 0.0224 0.0245
Loa Loa (eye worm) hypothetical protein 0.003 0.0224 0.0245
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0048 0.0652 0.0746
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0033 0.0305 0.032
Brugia malayi Cam kinase protein 1 0.0033 0.0305 0.0333
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.003 0.0224 0.0245
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0305 0.0348
Echinococcus multilocularis hemicentin 1 0.003 0.0224 0.0256
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.0224 0.0245
Trypanosoma brucei glucose transporter 2A 0.0034 0.0314 0.6871
Echinococcus granulosus hemicentin 1 0.003 0.0224 0.0256
Schistosoma mansoni vesicular amine transporter 0.0037 0.0381 0.0436
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0314 0.6871
Leishmania major glucose transporter, lmgt2 0.0034 0.0314 0.6871
Echinococcus multilocularis roundabout 2 0.003 0.0224 0.0256
Schistosoma mansoni protein kinase 0.0033 0.0305 0.0348
Echinococcus multilocularis Immunoglobulin 0.0037 0.0381 0.0436
Loa Loa (eye worm) hypothetical protein 0.0037 0.0381 0.0417
Trypanosoma brucei glucose transporter, putative 0.0034 0.0314 0.6871
Loa Loa (eye worm) hypothetical protein 0.0037 0.0381 0.0417
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.0224 0.0245
Entamoeba histolytica protein kinase, putative 0.0033 0.0305 1
Schistosoma mansoni glucose transport protein 0.0108 0.2013 0.2303
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.003 0.0224 0.0256
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.01 0.0115
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.003 0.0224 0.0256
Trichomonas vaginalis glucose transporter, putative 0.0034 0.0314 0.1423
Echinococcus multilocularis peroxidasin 0.003 0.0224 0.0256
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0037 0.0381 0.0436
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0032 0.0271 0.0296
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0305 0.0348
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0108 0.2013 0.2303
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0305 0.0348
Trypanosoma brucei glucose transporter 1E 0.0034 0.0314 0.6871
Schistosoma mansoni cell adhesion molecule 0.003 0.0224 0.0256
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.0224 0.0245
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0305 0.0348
Plasmodium vivax calcium-dependent protein kinase, putative 0.0033 0.0305 0.0207
Giardia lamblia Prolyl-tRNA synthetase 0.0032 0.0289 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.003 0.0224 0.0256
Loa Loa (eye worm) hypothetical protein 0.0026 0.0151 0.0165
Loa Loa (eye worm) hypothetical protein 0.0066 0.1054 0.1153
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0033 0.0305 0.0207
Brugia malayi Protein kinase domain containing protein 0.0064 0.1002 0.1096
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.0224 0.0245
Echinococcus multilocularis lysyl tRNA synthetase 0.0024 0.01 0.0115
Loa Loa (eye worm) hypothetical protein 0.003 0.0224 0.0245
Echinococcus granulosus fibroblast growth factor receptor 4 0.0404 0.8739 1
Echinococcus granulosus peroxidasin 0.003 0.0224 0.0256
Schistosoma mansoni tyrosine kinase 0.0064 0.1002 0.1147
Loa Loa (eye worm) sugar transporter 0.0108 0.2013 0.2202
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0021 0.0017 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0037 0.0381 0.0417
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0037 0.0381 0.0436
Schistosoma mansoni tyrosine kinase 0.0103 0.1894 0.2167
Echinococcus multilocularis roundabout 2 0.0066 0.1054 0.1206
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0038 0.0412 1
Trypanosoma cruzi hexose transporter 0.0034 0.0314 0.6871
Loa Loa (eye worm) hypothetical protein 0.0066 0.1054 0.1153
Loa Loa (eye worm) hypothetical protein 0.0032 0.0289 0.0316
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.003 0.0224 0.0256
Chlamydia trachomatis lysine--tRNA ligase 0.0024 0.01 0.5
Echinococcus granulosus tyrosine protein kinase otk 0.003 0.0224 0.0256
Schistosoma mansoni titin 0.003 0.0224 0.0256
Echinococcus granulosus Immunoglobulin 0.0037 0.0381 0.0436
Brugia malayi Furin-like cysteine rich region family protein 0.0186 0.3788 0.4144
Entamoeba histolytica protein kinase, putative 0.0033 0.0305 1
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0033 0.0305 0.6561
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0032 0.0289 0.9253
Echinococcus multilocularis neuroglian 0.003 0.0224 0.0256
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0032 0.0289 0.1297
Plasmodium vivax CDK-related protein kinase 6, putative 0.046 1 1
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0314 0.6871
Loa Loa (eye worm) hypothetical protein 0.003 0.0224 0.0245
Loa Loa (eye worm) hypothetical protein 0.003 0.0224 0.0245
Schistosoma mansoni nephrin 0.003 0.0224 0.0256
Brugia malayi Sugar transporter family protein 0.0108 0.2013 0.2202
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0222 0.4607 0.504
Onchocerca volvulus Basement membrane proteoglycan homolog 0.003 0.0224 0.0572
Plasmodium vivax proline--tRNA ligase, putative 0.0038 0.0412 0.0315
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0024 0.01 0.3046
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.01 0.5
Loa Loa (eye worm) TK/INSR protein kinase 0.0064 0.1002 0.1096
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0064 0.1002 0.1147
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0108 0.2013 0.2303
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.0224 0.0245
Echinococcus granulosus contactin 0.003 0.0224 0.0256
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0103 0.1894 0.2167
Trichomonas vaginalis glucose transporter, putative 0.0034 0.0314 0.1423
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.003 0.0224 0.0245
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.01 0.0115
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0021 0.0017 0.5
Schistosoma mansoni neuroglian 0.003 0.0224 0.0256
Loa Loa (eye worm) hypothetical protein 0.0024 0.01 0.011
Brugia malayi Immunoglobulin I-set domain containing protein 0.0222 0.4607 0.504
Schistosoma mansoni cell adhesion molecule 0.003 0.0224 0.0256
Schistosoma mansoni hypothetical protein 0.0108 0.2013 0.2303
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0305 0.0348
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0033 0.0305 0.0333
Leishmania major glucose transporter/membrane transporter D2, putative 0.0034 0.0314 0.6871
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0305 0.0348
Schistosoma mansoni glucose transport protein 0.0108 0.2013 0.2303
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0314 0.6871
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0033 0.0305 0.0333
Echinococcus granulosus twitchin 0.0056 0.083 0.095
Trypanosoma brucei glucose transporter, putative 0.0034 0.0314 0.6871
Schistosoma mansoni tyrosine kinase 0.0037 0.039 0.0446
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0314 0.1423
Trypanosoma brucei glucose transporter, putative 0.0034 0.0314 0.6871
Schistosoma mansoni tyrosine kinase 0.0064 0.1002 0.1147
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0314 0.6871
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.2013 0.2303
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.2013 0.2303
Plasmodium falciparum calcium-dependent protein kinase 2 0.0033 0.0305 0.0207
Trypanosoma brucei glucose transporter, putative 0.0034 0.0314 0.6871
Schistosoma mansoni glucose transport protein 0.0108 0.2013 0.2303
Loa Loa (eye worm) hypothetical protein 0.0048 0.0652 0.0713
Loa Loa (eye worm) hypothetical protein 0.0032 0.0289 0.0316
Echinococcus granulosus roundabout 2 0.003 0.0224 0.0256
Brugia malayi Fibronectin type III domain containing protein 0.0037 0.0381 0.0417
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0032 0.0289 0.0331
Loa Loa (eye worm) hypothetical protein 0.0037 0.0381 0.0417
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0108 0.2013 0.2303
Echinococcus granulosus roundabout 2 0.003 0.0224 0.0256
Echinococcus multilocularis Immunoglobulin 0.0037 0.0381 0.0436
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.0224 0.0245
Echinococcus granulosus lysyl tRNA synthetase 0.0024 0.01 0.0115
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.2013 0.2303
Schistosoma mansoni protein kinase 0.0033 0.0305 0.0348
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0314 0.1423
Leishmania major protein kinase, putative 0.0033 0.0305 0.6561
Trypanosoma brucei glucose transporter, putative 0.0034 0.0314 0.6871
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0289 0.0331
Brugia malayi lysyl-tRNA synthetase 0.0024 0.01 0.011
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0038 0.0412 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.003 0.0224 0.0256
Onchocerca volvulus 0.0167 0.334 0.8545
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0404 0.8739 1
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0175 0.3529 0.3464
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0314 0.1423
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0032 0.0289 1
Echinococcus granulosus General substrate transporter 0.0093 0.1666 0.1907
Echinococcus granulosus neuroglian 0.003 0.0224 0.0256
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.2013 1
Echinococcus multilocularis General substrate transporter 0.0093 0.1666 0.1907
Brugia malayi hypothetical protein 0.0037 0.0381 0.0417
Trypanosoma brucei glucose transporter, putative 0.0034 0.0314 0.6871
Schistosoma mansoni tyrosine kinase 0.0103 0.1894 0.2167
Echinococcus multilocularis epidermal growth factor receptor 0.0186 0.3788 0.4335
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0404 0.8739 1
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0305 0.0348
Brugia malayi Prion-like- 0.003 0.0224 0.0245
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0038 0.0412 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0224 0.0245
Plasmodium falciparum hexose transporter 0.0108 0.2013 0.1932
Echinococcus granulosus lachesin 0.003 0.0224 0.0256
Plasmodium falciparum calcium-dependent protein kinase 1 0.0033 0.0305 0.0207
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0038 0.0412 0.0486
Echinococcus multilocularis contactin neuroglian septate junction protein 0.003 0.0224 0.0256
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0314 0.1423
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0033 0.0305 0.0207
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0024 0.01 0.0342
Loa Loa (eye worm) TK/ROR protein kinase 0.0025 0.0119 0.013
Plasmodium falciparum calcium-dependent protein kinase 4 0.0033 0.0305 0.0207
Loa Loa (eye worm) hypothetical protein 0.0037 0.0381 0.0417
Loa Loa (eye worm) TK/EGFR protein kinase 0.0186 0.3788 0.4144
Plasmodium falciparum proline--tRNA ligase 0.0038 0.0412 0.0315
Echinococcus granulosus neuroglian 0.0054 0.0783 0.0896
Loa Loa (eye worm) TK protein kinase 0.0422 0.9141 1
Trypanosoma brucei glucose transporter, putative 0.0034 0.0314 0.6871
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0064 0.1002 0.1147
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0033 0.0305 0.032
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0033 0.0305 0.032
Echinococcus multilocularis calcium dependent protein kinase 0.0031 0.0258 0.0295
Schistosoma mansoni tyrosine kinase 0.0186 0.3788 0.4335
Schistosoma mansoni cell adhesion molecule 0.0048 0.0652 0.0746
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0025 0.0119 0.0136
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.0224 0.0245
Trichomonas vaginalis CAMK family protein kinase 0.0033 0.0305 0.1374
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0038 0.0412 1
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.003 0.0224 0.0256
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0033 0.0305 0.0348
Loa Loa (eye worm) hypothetical protein 0.0033 0.0305 0.0333
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0314 0.6871
Loa Loa (eye worm) hypothetical protein 0.003 0.0224 0.0245
Schistosoma mansoni septate junction protein 0.003 0.0224 0.0256
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.2013 0.2303
Schistosoma mansoni protein kinase 0.0033 0.0305 0.0348
Schistosoma mansoni roundabout 0.003 0.0224 0.0256
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0175 0.3529 0.5352
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0033 0.0305 0.0207
Trypanosoma brucei glucose transporter, putative 0.0034 0.0314 0.6871
Onchocerca volvulus Tyrosine kinase homolog 0.0192 0.3908 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0224 0.0245
Echinococcus multilocularis 0.0056 0.0818 0.0936
Echinococcus granulosus defective proboscis extension response 0.0037 0.0381 0.0436
Schistosoma mansoni septate junction protein 0.003 0.0224 0.0256
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0404 0.8739 1
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0038 0.0412 1
Schistosoma mansoni cell adhesion molecule 0.003 0.0224 0.0256
Plasmodium vivax hexose transporter 0.0108 0.2013 0.1932
Schistosoma mansoni tyrosine kinase 0.0096 0.1727 0.1977
Echinococcus multilocularis insulin receptor 0.0064 0.1002 0.1147
Echinococcus multilocularis hemicentin 1 0.003 0.0224 0.0256
Schistosoma mansoni tyrosine kinase 0.0096 0.1727 0.1977
Brugia malayi Immunoglobulin I-set domain containing protein 0.0422 0.9141 1
Schistosoma mansoni tyrosine kinase 0.0404 0.8739 1
Toxoplasma gondii facilitative glucose transporter GT1 0.0108 0.2013 0.2985
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0032 0.0289 0.0331
Plasmodium falciparum calcium-dependent protein kinase 5 0.0033 0.0305 0.0207
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0108 0.2013 0.2303
Brugia malayi Peroxidasin 0.003 0.0224 0.0245
Plasmodium falciparum mitogen-activated protein kinase 2 0.0175 0.3529 0.3464
Plasmodium falciparum protein kinase 7 0.0306 0.6507 0.6471
Schistosoma mansoni nephrin 0.0054 0.0783 0.0896
Echinococcus granulosus epidermal growth factor receptor 0.0103 0.1894 0.2167
Toxoplasma gondii protein kinase, putative 0.0306 0.6507 1
Echinococcus multilocularis roundabout 2 0.003 0.0224 0.0256

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Toxicity in mouse xenografted with rat C6 cells lacking human TIE2 assessed as body weight loss at 10 to 33 mg/kg, po after 10 days ChEMBL. 23566514
IC50 (binding) = 1400 nM Inhibition of PDGFR (unknown origin) ChEMBL. 23566514
IC50 (binding) > 10000 nM Inhibition of FGFR (unknown origin) ChEMBL. 23566514
IC50 (binding) > 10000 nM Inhibition of EGFR (unknown origin) ChEMBL. 23566514
IC50 (binding) > 10000 nM Inhibition of KDR (unknown origin) ChEMBL. 23566514
Inhibition (functional) Inhibition of human TIE2 phosphorylation expressed in rat C6 cells xenografted in po dosed mouse ChEMBL. 23566514
permeability (ADMET) = 9.5 ucm/s Permeability across basolateral to apical side in human Caco2 cells expressing p-gp ChEMBL. 23566514

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.