Detailed information for compound 279701

Basic information

Technical information
  • TDR Targets ID: 279701
  • Name: 3-carbamimidoyl-N-[(1R)-2-[4-(4-fluorobenzoyl )piperidin-1-yl]-2-oxo-1-phenylethyl]benzamid e
  • MW: 486.537 | Formula: C28H27FN4O3
  • H donors: 2 H acceptors: 3 LogP: 3.32 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)[C@@H](c1ccccc1)NC(=O)c1cccc(c1)C(=N)N
  • InChi: 1S/C28H27FN4O3/c29-23-11-9-19(10-12-23)25(34)20-13-15-33(16-14-20)28(36)24(18-5-2-1-3-6-18)32-27(35)22-8-4-7-21(17-22)26(30)31/h1-12,17,20,24H,13-16H2,(H3,30,31)(H,32,35)/t24-/m1/s1
  • InChiKey: UGCXSGLQUWHIBS-XMMPIXPASA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-carbamimidoyl-N-[(1R)-2-[4-(4-fluorobenzoyl)-1-piperidyl]-2-oxo-1-phenyl-ethyl]benzamide
  • 3-carbamimidoyl-N-[(1R)-2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]-2-oxo-1-phenylethyl]benzamide
  • 3-carbamimidoyl-N-[(1R)-2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-2-oxo-1-phenyl-ethyl]benzamide
  • 3-amidino-N-[(1R)-2-[4-(4-fluorobenzoyl)piperidino]-2-keto-1-phenyl-ethyl]benzamide
  • 3-amidino-N-[(1R)-2-[4-(4-fluorobenzoyl)-1-piperidyl]-2-keto-1-phenyl-ethyl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor II (thrombin) Starlite/ChEMBL References
Homo sapiens coagulation factor X Starlite/ChEMBL References
Homo sapiens protease, serine, 1 (trypsin 1) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Brugia malayi Trypsin family protein Get druggable targets OG5_126639 All targets in OG5_126639
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Trypsin family protein protease, serine, 1 (trypsin 1) 247 aa 287 aa 21.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni run and tbc1 domain containing 0.0135 0.175 0.041
Schistosoma mansoni suppressor of cytokine signaling 0.0138 0.1831 0.0504
Schistosoma mansoni suppressor of cytokine signaling 0.0138 0.1831 0.0504
Onchocerca volvulus 0.0177 0.274 1
Brugia malayi SH2 domain containing protein 0.0138 0.1831 0.1831
Echinococcus granulosus tyrosine protein kinase shark 0.0177 0.274 0.12
Brugia malayi Variant SH3 domain containing protein 0.0138 0.1831 0.1831
Onchocerca volvulus Suppressor of cytokine signaling at 36E homolog 0.0138 0.1831 0.4508
Echinococcus granulosus tyrosine kinase 0.0177 0.274 0.12
Brugia malayi tRNA modification GTPase TrmE family protein 0.0138 0.1831 0.1831
Schistosoma mansoni eps8-related protein 0.0135 0.175 0.041
Echinococcus granulosus SH2 domain containing protein 7 0.0138 0.1831 0.0097
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.0138 0.1831 0.0097
Schistosoma mansoni growth factor receptor-bound protein 0.0273 0.4989 0.4175
Loa Loa (eye worm) protein-tyrosine kinase 0.0135 0.175 0.175
Brugia malayi Guanylate kinase family protein 0.0135 0.175 0.175
Schistosoma mansoni tyrosine kinase 0.0312 0.5898 0.5232
Brugia malayi Protein kinase domain containing protein 0.0177 0.274 0.274
Schistosoma mansoni tyrosine kinase 0.0177 0.274 0.1561
Schistosoma mansoni formin binding protein and related proteins 0.0135 0.175 0.041
Echinococcus granulosus tyrosine protein kinase Src42A 0.0487 1 1
Onchocerca volvulus 0.0135 0.175 0.4022
Loa Loa (eye worm) TK/FER protein kinase 0.0177 0.274 0.274
Schistosoma mansoni apoptosis stimulating of P53 0.0135 0.175 0.041
Loa Loa (eye worm) TK/ABL protein kinase 0.0177 0.274 0.274
Echinococcus granulosus growth factor receptor bound protein 2 0.0273 0.4989 0.3925
Schistosoma mansoni hypothetical protein 0.0135 0.175 0.041
Echinococcus granulosus tyrosine protein kinase ABL1 0.0177 0.274 0.12
Schistosoma mansoni dynamin-associated protein 0.0135 0.175 0.041
Echinococcus granulosus tyrosine protein kinase Src42A 0.0313 0.5933 0.507
Onchocerca volvulus 0.0138 0.1831 0.4508
Schistosoma mansoni growth factor receptor-bound protein 0.0273 0.4989 0.4175
Onchocerca volvulus 0.0135 0.175 0.4022
Schistosoma mansoni adapter molecule crk 0.0273 0.4989 0.4175
Leishmania major hypothetical protein, conserved 0.0135 0.175 0.5
Echinococcus multilocularis tensin 0.0138 0.1831 0.0097
Loa Loa (eye worm) hypothetical protein 0.0273 0.4989 0.4989
Loa Loa (eye worm) hypothetical protein 0.0135 0.175 0.175
Schistosoma mansoni tensin 0.0138 0.1831 0.0504
Loa Loa (eye worm) hypothetical protein 0.012 0.1397 0.1397
Loa Loa (eye worm) TK protein kinase 0.0352 0.6842 0.6842
Onchocerca volvulus 0.0135 0.175 0.4022
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0177 0.274 0.12
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0487 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0177 0.274 0.274
Echinococcus multilocularis SH2 motif 0.0138 0.1831 0.0097
Loa Loa (eye worm) hypothetical protein 0.0135 0.175 0.175
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0177 0.274 0.12
Brugia malayi RhoGAP domain containing protein 0.0138 0.1831 0.1831
Onchocerca volvulus 0.0135 0.175 0.4022
Schistosoma mansoni SH2A 0.0138 0.1831 0.0504
Schistosoma mansoni vav2 0.0138 0.1831 0.0504
Brugia malayi Sex muscle abnormal protein 5 0.0273 0.4989 0.4989
Echinococcus multilocularis tyrosine protein kinase HCK 0.0214 0.3604 0.2246
Loa Loa (eye worm) hypothetical protein 0.012 0.1397 0.1397
Echinococcus granulosus tyrosine protein kinase Fyn 0.0487 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0352 0.6842 0.6172
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0138 0.1831 0.0504
Onchocerca volvulus Putative cortactin 0.0135 0.175 0.4022
Echinococcus multilocularis tyrosine kinase 0.0177 0.274 0.12
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.175 0.5
Brugia malayi SH2 domain containing protein 0.0138 0.1831 0.1831
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0138 0.1831 0.1831
Loa Loa (eye worm) hypothetical protein 0.0138 0.1831 0.1831
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0487 1 1
Echinococcus granulosus hypothetical protein 0.0138 0.1831 0.0097
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.175 0.5
Trichomonas vaginalis neutrophil cytosolic factor 2, neutrophil NADPH oxidase factor, putative 0.0135 0.175 0.5
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0312 0.5898 0.5028
Loa Loa (eye worm) hypothetical protein 0.0138 0.1831 0.1831
Loa Loa (eye worm) hypothetical protein 0.0138 0.1831 0.1831
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0138 0.1831 0.0097
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.0138 0.1831 0.0097
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0487 1 1
Loa Loa (eye worm) guanylate kinase 0.0135 0.175 0.175
Trypanosoma cruzi hypothetical protein, conserved 0.0135 0.175 0.5
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0487 1 1
Onchocerca volvulus 0.0138 0.1831 0.4508
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.175 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.175 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0487 1 1
Loa Loa (eye worm) hypothetical protein 0.0138 0.1831 0.1831
Brugia malayi Tensin 0.0138 0.1831 0.1831
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0138 0.1831 0.1831
Loa Loa (eye worm) hypothetical protein 0.0135 0.175 0.175
Echinococcus multilocularis suppressor of cytokine signaling 6 0.0138 0.1831 0.0097
Echinococcus multilocularis N chimaerin 0.0138 0.1831 0.0097
Schistosoma mansoni tensin-related 0.0138 0.1831 0.0504
Brugia malayi Tyrosine-protein kinase abl-1 0.0312 0.5898 0.5898
Loa Loa (eye worm) hypothetical protein 0.0135 0.175 0.175
Brugia malayi protein-tyrosine kinase 0.0135 0.175 0.175
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0138 0.1831 0.0097
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0352 0.6842 0.6172
Schistosoma mansoni hypothetical protein 0.0135 0.175 0.041
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0138 0.1831 0.0097
Loa Loa (eye worm) hypothetical protein 0.0138 0.1831 0.1831
Loa Loa (eye worm) hypothetical protein 0.0177 0.274 0.274
Brugia malayi Protein kinase domain containing protein 0.0177 0.274 0.274
Schistosoma mansoni signal transducing adapter molecule (stam) 0.0135 0.175 0.041
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0138 0.1831 0.0097
Schistosoma mansoni hypothetical protein 0.0138 0.1831 0.0504
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0177 0.274 0.534
Brugia malayi SH2 domain containing protein 0.0177 0.274 0.274
Brugia malayi Trypsin family protein 0.012 0.1397 0.1397
Onchocerca volvulus 0.0177 0.274 1
Echinococcus multilocularis SH2 motif 0.0138 0.1831 0.0097
Onchocerca volvulus 0.0138 0.1831 0.4508
Loa Loa (eye worm) hypothetical protein 0.0138 0.1831 0.1831
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0313 0.5933 0.507
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0135 0.175 0.175
Brugia malayi Fes/CIP4 homology domain containing protein 0.0135 0.175 0.175
Loa Loa (eye worm) hypothetical protein 0.0138 0.1831 0.1831
Echinococcus granulosus c src tyrosine kinase 0.0312 0.5898 0.5028
Echinococcus multilocularis signal transduction protein lnk realted 0.0138 0.1831 0.0097
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0312 0.5898 0.5232
Onchocerca volvulus 0.0177 0.274 1
Loa Loa (eye worm) TK/FER protein kinase 0.0177 0.274 0.274
Brugia malayi SH2 domain containing protein 0.0138 0.1831 0.1831
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0487 1 1
Loa Loa (eye worm) hypothetical protein 0.0138 0.1831 0.1831
Brugia malayi Variant SH3 domain containing protein 0.0138 0.1831 0.1831
Brugia malayi STAT protein, DNA binding domain containing protein 0.0138 0.1831 0.1831
Brugia malayi Protein kinase domain containing protein 0.0177 0.274 0.274
Echinococcus granulosus suppressor of cytokine signaling 7 0.0138 0.1831 0.0097
Echinococcus granulosus SH2 motif 0.0138 0.1831 0.0097
Echinococcus granulosus expressed conserved protein 0.0138 0.1831 0.0097
Brugia malayi cytokine inducible SH2-containing protein 5 0.0138 0.1831 0.1831
Entamoeba histolytica protein kinase, putative 0.0138 0.1831 0.0434
Loa Loa (eye worm) SRC-1 0.0487 1 1
Trypanosoma cruzi paraflagellar rod protein 5, putative 0.0135 0.175 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0273 0.4989 0.4175
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0138 0.1831 0.0097
Echinococcus granulosus SH2 domain containing adapter protein F 0.0138 0.1831 0.0097
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0487 1 1
Brugia malayi Variant SH3 domain containing protein 0.0135 0.175 0.175
Loa Loa (eye worm) TK/FER protein kinase 0.0177 0.274 0.274
Echinococcus granulosus tyrosine protein kinase Blk 0.0352 0.6842 0.6172
Schistosoma mansoni shc transforming protein 0.0138 0.1831 0.0504
Brugia malayi Variant SH3 domain containing protein 0.0135 0.175 0.175
Schistosoma mansoni tyrosine kinase 0.0487 1 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0352 0.6842 0.6172
Echinococcus granulosus tensin C1 domain containing phosphatase 0.0138 0.1831 0.0097
Echinococcus granulosus tyrosine protein kinase Srms 0.0177 0.274 0.12
Loa Loa (eye worm) hypothetical protein 0.0138 0.1831 0.1831
Schistosoma mansoni dreadlocks/dock 0.0135 0.175 0.041
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0138 0.1831 0.0504
Brugia malayi SH2 domain containing protein 0.0138 0.1831 0.1831
Echinococcus multilocularis tyrosine protein kinase shark 0.0177 0.274 0.12
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0138 0.1831 0.0097
Schistosoma mansoni serine/threonine protein kinase 0.0174 0.266 0.1467
Loa Loa (eye worm) hypothetical protein 0.0135 0.175 0.175
Echinococcus multilocularis SH2 domain containing protein 7 0.0138 0.1831 0.0097
Loa Loa (eye worm) TK/FER protein kinase 0.0177 0.274 0.274
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0138 0.1831 0.1831
Brugia malayi Myosin tail family protein 0.0135 0.175 0.175
Onchocerca volvulus 0.0138 0.1831 0.4508
Brugia malayi Spectrin alpha chain 0.0135 0.175 0.175
Loa Loa (eye worm) STAT protein 0.0138 0.1831 0.1831
Echinococcus multilocularis SH2 motif 0.0138 0.1831 0.0097
Brugia malayi hypothetical protein 0.0138 0.1831 0.1831
Loa Loa (eye worm) TK protein kinase 0.0214 0.3604 0.3604
Echinococcus multilocularis NCK adaptor protein 0.0273 0.4989 0.3925
Loa Loa (eye worm) TK/FER protein kinase 0.0177 0.274 0.274
Echinococcus multilocularis SH2 domain containing adapter protein F 0.0138 0.1831 0.0097
Loa Loa (eye worm) thyroid receptor interactor 0.0135 0.175 0.175
Echinococcus granulosus NCK adaptor protein 0.0273 0.4989 0.3925
Schistosoma mansoni tyrosine kinase 0.0487 1 1
Brugia malayi Protein kinase domain containing protein 0.0177 0.274 0.274
Brugia malayi Variant SH3 domain containing protein 0.0273 0.4989 0.4989
Onchocerca volvulus 0.0135 0.175 0.4022
Brugia malayi SH2 domain containing protein 0.0177 0.274 0.274
Loa Loa (eye worm) hypothetical protein 0.0138 0.1831 0.1831
Loa Loa (eye worm) hypothetical protein 0.0135 0.175 0.175
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.175 0.5
Echinococcus granulosus tensin 0.0138 0.1831 0.0097
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0138 0.1831 0.0434
Onchocerca volvulus Suppressor of cytokine signaling 7 homolog 0.0138 0.1831 0.4508
Schistosoma mansoni tensin-related 0.0138 0.1831 0.0504
Brugia malayi SH2 domain containing protein 0.0138 0.1831 0.1831
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0487 1 1
Brugia malayi Protein kinase domain containing protein 0.0177 0.274 0.274
Trypanosoma cruzi hypothetical protein, conserved 0.0135 0.175 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.175 0.5
Onchocerca volvulus 0.012 0.1397 0.189
Schistosoma mansoni sorbin 0.0135 0.175 0.041
Brugia malayi SH2 domain containing protein 0.0138 0.1831 0.1831
Onchocerca volvulus LIM and SH3 domain protein homolog 0.0135 0.175 0.4022
Echinococcus granulosus tyrosine kinase 0.0352 0.6842 0.6172
Loa Loa (eye worm) hypothetical protein 0.0135 0.175 0.175
Loa Loa (eye worm) TK/FER protein kinase 0.0177 0.274 0.274
Echinococcus multilocularis c src tyrosine kinase 0.0312 0.5898 0.5028
Loa Loa (eye worm) cytokine inducible SH2-containing protein 5 0.0138 0.1831 0.1831
Onchocerca volvulus 0.0138 0.1831 0.4508
Echinococcus multilocularis tyrosine protein kinase Srms 0.0352 0.6842 0.6172
Loa Loa (eye worm) SH2 domain-containing protein 0.0138 0.1831 0.1831
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0487 1 1
Echinococcus granulosus SH2 motif 0.0138 0.1831 0.0097
Entamoeba histolytica protein kinase, putative 0.0214 0.3604 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0487 1 1
Brugia malayi SH3 domain containing protein 0.0135 0.175 0.175
Brugia malayi hypothetical protein 0.0177 0.274 0.274
Brugia malayi Variant SH3 domain containing protein 0.0135 0.175 0.175
Echinococcus granulosus tyrosine protein kinase Fyn 0.0487 1 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.175 0.175
Onchocerca volvulus 0.0177 0.274 1
Trypanosoma cruzi hypothetical protein, conserved 0.0135 0.175 0.5
Echinococcus multilocularis SHC transforming protein 3 0.0138 0.1831 0.0097
Echinococcus granulosus suppressor of cytokine signaling 6 0.0138 0.1831 0.0097
Onchocerca volvulus 0.0177 0.274 1
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0273 0.4989 0.4989
Schistosoma mansoni development and differentiation-enhancing factor ddef 0.0135 0.175 0.041
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0312 0.5898 0.5028
Echinococcus granulosus signal transduction protein lnk realted 0.0138 0.1831 0.0097
Schistosoma mansoni GTPase activating protein 0.0138 0.1831 0.0504
Brugia malayi Variant SH3 domain containing protein 0.0135 0.175 0.175
Onchocerca volvulus 0.0138 0.1831 0.4508
Schistosoma mansoni tyrosine kinase 0.0312 0.5898 0.5232
Loa Loa (eye worm) protein kinase C and casein kinase substrate in neurons protein 2 0.0135 0.175 0.175
Echinococcus multilocularis 0.0138 0.1831 0.0097
Loa Loa (eye worm) p53BP2 0.0135 0.175 0.175
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0273 0.4989 0.4989
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0138 0.1831 0.0097
Onchocerca volvulus 0.0177 0.274 1
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0177 0.274 0.12
Loa Loa (eye worm) hypothetical protein 0.0135 0.175 0.175
Loa Loa (eye worm) hypothetical protein 0.0138 0.1831 0.1831
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.175 0.5
Loa Loa (eye worm) SH2 domain-containing protein 0.0138 0.1831 0.1831
Loa Loa (eye worm) hypothetical protein 0.0138 0.1831 0.1831
Loa Loa (eye worm) TK/FER protein kinase 0.0177 0.274 0.274
Brugia malayi Peripheral plasma membrane protein CASK 0.0135 0.175 0.175
Schistosoma mansoni Dab2-interacting protein-like 0.0135 0.175 0.041
Schistosoma mansoni hypothetical protein 0.0138 0.1831 0.0504
Echinococcus multilocularis tensin 0.0138 0.1831 0.0097
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0138 0.1831 0.0097
Schistosoma mansoni slit-robo rho gtpase activating protein 0.0135 0.175 0.041
Loa Loa (eye worm) TK/FER protein kinase 0.0177 0.274 0.274
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0138 0.1831 0.1831
Loa Loa (eye worm) SH2 domain-containing protein 0.0138 0.1831 0.1831
Brugia malayi Variant SH3 domain containing protein 0.0135 0.175 0.175
Brugia malayi SH2 domain containing protein 0.0138 0.1831 0.1831
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0487 1 1
Schistosoma mansoni nck2/grb4 0.0273 0.4989 0.4175
Echinococcus granulosus SHC transforming protein 3 0.0138 0.1831 0.0097
Echinococcus granulosus tyrosine protein kinase Src64B 0.0487 1 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0487 1 1
Brugia malayi Variant SH3 domain containing protein 0.0135 0.175 0.175
Echinococcus granulosus tyrosine protein kinase HCK 0.0214 0.3604 0.2246
Loa Loa (eye worm) hypothetical protein 0.0138 0.1831 0.1831
Loa Loa (eye worm) TK/FER protein kinase 0.0177 0.274 0.274
Trichomonas vaginalis p67phox protein, putative 0.0135 0.175 0.5
Schistosoma mansoni signal transduction protein lnk-related 0.0138 0.1831 0.0504
Brugia malayi Variant SH3 domain containing protein 0.0273 0.4989 0.4989
Schistosoma mansoni tensin 0.0138 0.1831 0.0504
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0487 1 1
Schistosoma mansoni tyrosine-protein kinase zap-70 0.0138 0.1831 0.0504
Echinococcus multilocularis growth factor receptor bound protein 2 0.0273 0.4989 0.3925
Brugia malayi Src substrate cortactin 0.0135 0.175 0.175
Schistosoma mansoni cell polarity protein 0.0135 0.175 0.041
Schistosoma mansoni tyrosine kinase 0.0177 0.274 0.1561
Brugia malayi protein-tyrosine kinase 0.0352 0.6842 0.6842
Echinococcus granulosus N chimaerin 0.0138 0.1831 0.0097
Schistosoma mansoni sorting nexin 0.0135 0.175 0.041
Loa Loa (eye worm) hypothetical protein 0.0138 0.1831 0.1831
Entamoeba histolytica SH2 domain containing protein 0.0138 0.1831 0.0434
Schistosoma mansoni tensin 0.0138 0.1831 0.0504
Echinococcus multilocularis tyrosine protein kinase Abl 0.0312 0.5898 0.5028
Trypanosoma brucei conserved protein 0.0135 0.175 0.5
Schistosoma mansoni C-fyn 0.0135 0.175 0.041
Schistosoma mansoni sh3-containing grb2-like protein 1 (endophilin II) 0.0135 0.175 0.041
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0138 0.1831 0.0504

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.01 uM Binding affinity against human coagulation factor Xa ChEMBL. 11266180
Ki (binding) = 0.01 uM Binding affinity against human coagulation factor Xa ChEMBL. 11266180
Ki (binding) = 0.54 uM Binding affinity against human trypsin ChEMBL. 11266180
Ki (binding) = 0.54 uM Binding affinity against human trypsin ChEMBL. 11266180
Ki (binding) = 1.18 uM Affinity for human thrombin ChEMBL. 11266180
Ki (binding) = 1.18 uM Affinity for human thrombin ChEMBL. 11266180

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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