Detailed information for compound 1051417

Basic information

Technical information
  • TDR Targets ID: 1051417
  • Name: 2-(3-amino-1,2-benzoxazol-5-yl)-N-[4-[2-(dime thylaminomethyl)imidazol-1-yl]-2-fluorophenyl ]-5-(trifluoromethyl)pyrazole-3-carboxamide h ydrochloride
  • MW: 564.923 | Formula: C24H21ClF4N8O2
  • H donors: 2 H acceptors: 4 LogP: 3.94 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN(Cc1nccn1c1ccc(c(c1)F)NC(=O)c1cc(nn1c1ccc2c(c1)c(N)no2)C(F)(F)F)C.Cl
  • InChi: 1S/C24H20F4N8O2.ClH/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19;/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37);1H
  • InChiKey: CASCTHHMARGRLB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3-amino-1,2-benzoxazol-5-yl)-N-[4-[2-(dimethylaminomethyl)imidazol-1-yl]-2-fluoro-phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide hydrochloride
  • 2-(3-amino-1,2-benzoxazol-5-yl)-N-[4-[2-(dimethylaminomethyl)-1-imidazolyl]-2-fluorophenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide hydrochloride
  • 2-(3-aminoindoxazen-5-yl)-N-[4-[2-(dimethylaminomethyl)imidazol-1-yl]-2-fluoro-phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide hydrochloride
  • 405940-76-3
  • Razaxaban hydrochloride (USAN)
  • 1H-Pyrazole-5-carboxamide, 1-(3-amino-1,2-benzisoxazol-5-yl)-N-(4-(2-((dimethylamino)methyl)-1H-imidazol-1-yl)-2-fluorophenyl)-3-(trifluoromethyl)-, monohydrochloride
  • BMS-561389
  • DPC 906
  • DPC-906
  • Razaxaban Hydrochloride
  • Razaxaban Hydrochloride [USAN]
  • D04029

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein C (inactivator of coagulation factors Va and VIIIa) Starlite/ChEMBL References
Homo sapiens protease, serine, 3 Starlite/ChEMBL References
Homo sapiens kallikrein 1 Starlite/ChEMBL References
Homo sapiens coagulation factor VII (serum prothrombin conversion accelerator) Starlite/ChEMBL References
Homo sapiens protease, serine, 1 (trypsin 1) Starlite/ChEMBL References
Homo sapiens coagulation factor XI Starlite/ChEMBL References
Oryctolagus cuniculus Coagulation factor X Starlite/ChEMBL References
Homo sapiens protease, serine, 2 (trypsin 2) References
Homo sapiens coagulation factor X Starlite/ChEMBL References
Homo sapiens chymotrypsinogen B1 Starlite/ChEMBL References
Homo sapiens plasminogen Starlite/ChEMBL References
Homo sapiens coagulation factor II (thrombin) Starlite/ChEMBL References
Homo sapiens plasminogen activator, urokinase Starlite/ChEMBL References
Canis lupus familiaris Coagulation factor X Starlite/ChEMBL References
Homo sapiens coagulation factor IX Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein Get druggable targets OG5_134971 All targets in OG5_134971
Echinococcus granulosus glycoprotein Antigen 5 Get druggable targets OG5_136757 All targets in OG5_136757
Echinococcus multilocularis Mastin Get druggable targets OG5_136757 All targets in OG5_136757
Toxoplasma gondii PAN domain-containing protein Get druggable targets OG5_134971 All targets in OG5_134971
Schistosoma japonicum ko:K01346 pancreatic elastase II [EC3.4.21.71], putative Get druggable targets OG5_136757 All targets in OG5_136757
Echinococcus multilocularis glycoprotein Antigen 5 Get druggable targets OG5_136757 All targets in OG5_136757
Echinococcus granulosus Mastin Get druggable targets OG5_136757 All targets in OG5_136757
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
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_136757 All targets in OG5_136757
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Neospora caninum hypothetical protein Get druggable targets OG5_134971 All targets in OG5_134971
Neospora caninum hypothetical protein Get druggable targets OG5_134971 All targets in OG5_134971
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
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Toxoplasma gondii PAN domain-containing protein Get druggable targets OG5_134971 All targets in OG5_134971
Echinococcus granulosus enteropeptidase Get druggable targets OG5_136757 All targets in OG5_136757
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Echinococcus multilocularis enteropeptidase Get druggable targets OG5_136757 All targets in OG5_136757
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Drosophila melanogaster CG31267 gene product from transcript CG31267-RA Coagulation factor X   159 aa 165 aa 26.7 %
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Coagulation factor X   159 aa 159 aa 28.3 %
Drosophila melanogaster betaTrypsin Coagulation factor X   159 aa 164 aa 31.7 %
Drosophila melanogaster Jonah 65Aii Coagulation factor X   159 aa 168 aa 27.4 %
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family Coagulation factor X   159 aa 201 aa 26.4 %
Drosophila melanogaster Jonah 66Ci Coagulation factor X   159 aa 162 aa 22.8 %
Onchocerca volvulus Coagulation factor X   159 aa 190 aa 22.6 %
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Coagulation factor X   159 aa 165 aa 32.7 %
Candida albicans involved in cytoskeletal control Coagulation factor X   159 aa 130 aa 24.6 %
Drosophila melanogaster CG5909 gene product from transcript CG5909-RA Coagulation factor X   159 aa 173 aa 31.8 %
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) Coagulation factor X   159 aa 201 aa 26.9 %
Echinococcus granulosus glycoprotein Antigen 5 coagulation factor VII (serum prothrombin conversion accelerator) 466 aa 384 aa 23.7 %
Echinococcus granulosus Mastin Coagulation factor X   159 aa 213 aa 24.9 %
Drosophila melanogaster Trypsin 29F Coagulation factor X   159 aa 162 aa 30.9 %
Schistosoma mansoni cercarial elastase (S01 family) protease, serine, 3 261 aa 234 aa 25.2 %
Giardia lamblia Kinase, NEK Coagulation factor X   159 aa 155 aa 23.2 %
Drosophila melanogaster CG4815 gene product from transcript CG4815-RA Coagulation factor X   159 aa 166 aa 28.9 %
Drosophila melanogaster CG10405 gene product from transcript CG10405-RB Coagulation factor X   159 aa 171 aa 35.1 %
Candida albicans involved in cytoskeletal control Coagulation factor X   159 aa 130 aa 24.6 %
Drosophila melanogaster Jonah 65Aiii Coagulation factor X   159 aa 160 aa 27.5 %
Drosophila melanogaster CG32277 gene product from transcript CG32277-RA Coagulation factor X   159 aa 167 aa 29.3 %
Echinococcus granulosus enteropeptidase Coagulation factor X   159 aa 184 aa 25.0 %
Echinococcus multilocularis Mastin Coagulation factor X   159 aa 213 aa 24.9 %
Onchocerca volvulus Coagulation factor X   159 aa 137 aa 27.0 %
Brugia malayi Trypsin family protein Coagulation factor X   159 aa 165 aa 33.3 %
Echinococcus multilocularis transmembrane protease serine 3 Coagulation factor X   159 aa 183 aa 35.0 %
Schistosoma mansoni aminopeptidase PILS (M01 family) Coagulation factor X   159 aa 134 aa 26.1 %
Drosophila melanogaster Spatzle-Processing Enzyme Coagulation factor X   159 aa 183 aa 30.1 %
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Coagulation factor X   159 aa 167 aa 29.9 %
Onchocerca volvulus Coagulation factor X   159 aa 165 aa 24.8 %
Drosophila melanogaster CG30288 gene product from transcript CG30288-RC Coagulation factor X   159 aa 165 aa 24.9 %
Loa Loa (eye worm) hypothetical protein Coagulation factor X   159 aa 182 aa 23.6 %
Drosophila melanogaster CG18180 gene product from transcript CG18180-RA Coagulation factor X   159 aa 167 aa 24.6 %
Drosophila melanogaster CG30287 gene product from transcript CG30287-RA Coagulation factor X   159 aa 171 aa 25.1 %
Brugia malayi Trypsin family protein protease, serine, 1 (trypsin 1) 247 aa 287 aa 21.6 %
Drosophila melanogaster CG31326 gene product from transcript CG31326-RA Coagulation factor X   159 aa 169 aa 24.3 %
Drosophila melanogaster CG11313 gene product from transcript CG11313-RC Coagulation factor X   159 aa 179 aa 29.1 %
Schistosoma japonicum Enteropeptidase, putative Coagulation factor X   159 aa 213 aa 23.5 %
Drosophila melanogaster CG33458 gene product from transcript CG33458-RA Coagulation factor X   159 aa 166 aa 30.7 %
Drosophila melanogaster CG3916 gene product from transcript CG3916-RA Coagulation factor X   159 aa 165 aa 26.1 %
Echinococcus granulosus glycoprotein Antigen 5 Coagulation factor X   159 aa 140 aa 26.4 %
Echinococcus granulosus Mastin plasminogen activator, urokinase 414 aa 340 aa 24.4 %
Drosophila melanogaster CG13744 gene product from transcript CG13744-RA Coagulation factor X   159 aa 178 aa 32.6 %
Drosophila melanogaster CG33465 gene product from transcript CG33465-RC Coagulation factor X   159 aa 166 aa 21.7 %
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Coagulation factor X   159 aa 217 aa 23.0 %
Echinococcus granulosus transmembrane protease serine 3 Coagulation factor X   159 aa 183 aa 35.0 %
Echinococcus multilocularis glycoprotein Antigen 5 Coagulation factor X   159 aa 137 aa 27.0 %
Echinococcus multilocularis enteropeptidase Coagulation factor X   159 aa 184 aa 23.9 %
Brugia malayi Trypsin family protein chymotrypsinogen B1 263 aa 261 aa 25.3 %
Brugia malayi Trypsin family protein kallikrein 1 262 aa 247 aa 22.7 %
Drosophila melanogaster CG9733 gene product from transcript CG9733-RB Coagulation factor X   159 aa 179 aa 30.2 %
Schistosoma mansoni cercarial elastase (S01 family) protease, serine, 2 (trypsin 2) 247 aa 240 aa 25.8 %
Drosophila melanogaster CG31220 gene product from transcript CG31220-RB Coagulation factor X   159 aa 177 aa 31.1 %
Drosophila melanogaster CG4914 gene product from transcript CG4914-RA Coagulation factor X   159 aa 168 aa 33.9 %
Schistosoma japonicum ko:K01346 pancreatic elastase II [EC3.4.21.71], putative Coagulation factor X   159 aa 219 aa 23.3 %
Schistosoma japonicum ko:K09637 transmembrane protease, serine 6, putative Coagulation factor X   159 aa 161 aa 27.3 %
Drosophila melanogaster CG3505 gene product from transcript CG3505-RA Coagulation factor X   159 aa 183 aa 26.8 %
Schistosoma mansoni cercarial elastase (S01 family) Coagulation factor X   159 aa 177 aa 25.4 %
Schistosoma mansoni cercarial elastase (S01 family) Coagulation factor X   159 aa 177 aa 25.4 %
Drosophila melanogaster Jonah 99Ci Coagulation factor X   159 aa 172 aa 23.8 %
Drosophila melanogaster CG9673 gene product from transcript CG9673-RB Coagulation factor X   159 aa 168 aa 22.6 %
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Coagulation factor X   159 aa 175 aa 30.9 %
Drosophila melanogaster CG18420 gene product from transcript CG18420-RA Coagulation factor X   159 aa 158 aa 28.5 %
Brugia malayi Trypsin family protein Coagulation factor X   159 aa 185 aa 23.2 %
Drosophila melanogaster CG17239 gene product from transcript CG17239-RB Coagulation factor X   159 aa 160 aa 31.9 %
Drosophila melanogaster CG34436 gene product from transcript CG34436-RA Coagulation factor X   159 aa 152 aa 19.1 %
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Coagulation factor X   159 aa 165 aa 30.9 %
Drosophila melanogaster CG30083 gene product from transcript CG30083-RB Coagulation factor X   159 aa 158 aa 25.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) TK/ROR protein kinase 0.0083 0.1215 0.1215
Onchocerca volvulus Arrow homolog 0.0065 0.0686 0.0686
Schistosoma mansoni cercarial elastase (S01 family) 0.0077 0.1027 0.0374
Loa Loa (eye worm) proteasome subunit beta type 1 0.0064 0.0678 0.0678
Echinococcus multilocularis fibrillin 1 0.0065 0.0686 0.0045
Loa Loa (eye worm) hypothetical protein 0.0396 1 1
Echinococcus granulosus tissue type plasminogen activator 0.0083 0.1215 0.3272
Schistosoma mansoni cercarial elastase (S01 family) 0.0077 0.1027 0.0374
Echinococcus granulosus transmembrane protease serine 3 0.0077 0.1027 0.2127
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0077 0.1027 0.2127
Leishmania major hypothetical protein, conserved 0.0083 0.1215 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0083 0.1197 1
Echinococcus granulosus proteasome prosome macropain 0.0083 0.1197 0.3164
Brugia malayi Protein kinase domain containing protein 0.0083 0.1215 0.1215
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0077 0.1027 0.0374
Loa Loa (eye worm) hypothetical protein 0.0077 0.1027 0.1027
Schistosoma mansoni cercarial elastase (S01 family) 0.0077 0.1027 0.0374
Brugia malayi hypothetical protein 0.0077 0.1027 0.1027
Echinococcus multilocularis glycoprotein Antigen 5 0.0123 0.2318 1
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0065 0.0686 0.0008
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0083 0.1197 0.5
Echinococcus multilocularis transmembrane protease serine 3 0.0077 0.1027 0.2127
Onchocerca volvulus 0.0396 1 1
Plasmodium vivax proteasome subunit beta type-5, putative 0.0083 0.1197 0.9669
Echinococcus granulosus laminin 0.0065 0.0686 0.0045
Plasmodium falciparum proteasome subunit beta type-5 0.0083 0.1197 0.9669
Mycobacterium ulcerans proteasome PrcB 0.0083 0.1197 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.1027 0.1027
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0074 0.0958 0.1707
Schistosoma mansoni egf-like domain protein 0.0065 0.0686 0.0008
Schistosoma mansoni cercarial elastase (S01 family) 0.0077 0.1027 0.0374
Loa Loa (eye worm) trypsin family protein 0.0077 0.1027 0.1027
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0123 0.2318 0.1759
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0064 0.0678 0.0724
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0083 0.1197 0.1197
Loa Loa (eye worm) hypothetical protein 0.0065 0.0686 0.0686
Echinococcus granulosus Mastin 0.0123 0.2318 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0077 0.1027 0.0374
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0083 0.1197 1
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0083 0.1197 1
Onchocerca volvulus 0.0077 0.1027 0.1027
Loa Loa (eye worm) hypothetical protein 0.0077 0.1027 0.1027
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0065 0.0686 0.0686
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0077 0.1027 0.2127
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0077 0.1027 0.0374
Loa Loa (eye worm) hypothetical protein 0.0065 0.0686 0.0686
Echinococcus multilocularis Tolloid protein 1 0.0065 0.0686 0.0045
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0083 0.1197 0.9669
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0083 0.1197 0.9669
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0077 0.1027 0.1027
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0083 0.1197 0.0556
Loa Loa (eye worm) hypothetical protein 0.0065 0.0686 0.0686
Echinococcus granulosus nuclear factor of activated T cells 5 0.0074 0.0958 0.1707
Plasmodium falciparum cysteine repeat modular protein 1 0.0083 0.1215 1
Brugia malayi Trypsin family protein 0.0077 0.1027 0.1027
Schistosoma mansoni cercarial elastase (S01 family) 0.0077 0.1027 0.0374
Schistosoma mansoni cercarial elastase (S01 family) 0.0077 0.1027 0.0374
Loa Loa (eye worm) hypothetical protein 0.0396 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0077 0.1027 0.0374
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0077 0.1027 0.0374
Echinococcus granulosus glycoprotein Antigen 5 0.0123 0.2318 1
Toxoplasma gondii kringle domain-containing protein 0.0083 0.1215 0.1296
Brugia malayi Trypsin-like protease protein 5 0.0077 0.1027 0.1027
Echinococcus granulosus enteropeptidase 0.0123 0.2318 1
Onchocerca volvulus 0.0077 0.1027 0.1027
Loa Loa (eye worm) hypothetical protein 0.0077 0.1027 0.1027
Loa Loa (eye worm) hypothetical protein 0.0083 0.1215 0.1215
Toxoplasma gondii PAN domain-containing protein 0.0373 0.9372 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0396 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0077 0.1027 0.0374
Echinococcus granulosus Tolloid protein 1 0.0065 0.0686 0.0045
Schistosoma mansoni cercarial elastase (S01 family) 0.0077 0.1027 0.0374
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0396 1 1
Brugia malayi Proteasome A-type and B-type family protein 0.0083 0.1197 0.1197
Schistosoma mansoni hypothetical protein 0.0077 0.1027 0.0374
Brugia malayi Kringle domain containing protein 0.0083 0.1215 0.1215
Echinococcus multilocularis laminin 0.0065 0.0686 0.0045
Brugia malayi proteasome subunit beta type 1 0.0064 0.0678 0.0678
Schistosoma mansoni hypothetical protein 0.0077 0.1027 0.0374
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0083 0.1215 1
Toxoplasma gondii calcium binding egf domain-containing protein 0.0065 0.0686 0.0732
Toxoplasma gondii PAN domain-containing protein 0.0373 0.9372 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0077 0.1027 0.0374
Echinococcus multilocularis proteasome (prosome, macropain) 0.0083 0.1197 0.3164
Onchocerca volvulus 0.0077 0.1027 0.1027
Schistosoma mansoni cercarial elastase (S01 family) 0.0077 0.1027 0.0374
Echinococcus multilocularis enteropeptidase 0.0123 0.2318 1
Brugia malayi Trypsin family protein 0.0077 0.1027 0.1027
Onchocerca volvulus 0.0077 0.1027 0.1027
Onchocerca volvulus 0.0077 0.1027 0.1027
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0077 0.1027 0.2127
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0065 0.0686 0.0686
Schistosoma mansoni hypothetical protein 0.0083 0.1215 0.0576
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0083 0.1197 0.5
Brugia malayi Fibulin-1 precursor 0.0065 0.0686 0.0686
Loa Loa (eye worm) hypothetical protein 0.0077 0.1027 0.1027
Trypanosoma cruzi hypothetical protein, conserved 0.0083 0.1215 1
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0065 0.0686 0.0686
Onchocerca volvulus 0.0083 0.1215 0.1215
Toxoplasma gondii calcium binding egf domain-containing protein 0.0065 0.0686 0.0732
Loa Loa (eye worm) hypothetical protein 0.0065 0.0686 0.0686
Echinococcus multilocularis Mastin 0.0123 0.2318 1
Brugia malayi Calcium binding EGF domain containing protein 0.0065 0.0686 0.0686
Echinococcus multilocularis tissue type plasminogen activator 0.0083 0.1215 0.3272
Leishmania major proteasome beta 5 subunit, putative 0.0083 0.1197 0.9669
Onchocerca volvulus 0.0319 0.7845 0.7845
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0077 0.1027 0.2127
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0065 0.0686 0.0686
Loa Loa (eye worm) hypothetical protein 0.0065 0.0686 0.0686
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0083 0.1197 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0083 0.1197 0.1277
Schistosoma mansoni cercarial elastase (S01 family) 0.0077 0.1027 0.0374
Brugia malayi Trypsin family protein 0.0077 0.1027 0.1027

Activities

Activity type Activity value Assay description Source Reference
2aPTT (functional) = 6.1 uM Activity in human plasma by aPTT assay ChEMBL. 16682200
2aPTT (functional) = 6.1 uM Anticoagulant activity in human plasma measured as activated partial thromboplastin time ChEMBL. 16870435
2PT (functional) = 1.9 uM Activity in rabbit plasma by PT assay ChEMBL. 16682200
2PT (functional) = 1.9 uM Anticoagulant activity in rabbit plasma measured as prothrombin time ChEMBL. 16870435
2PT (functional) = 2.1 uM Activity in human plasma by PT assay ChEMBL. 16682200
2PT (functional) = 2.1 uM Anticoagulant activity in human plasma measured as prothrombin time ChEMBL. 16870435
Ki (binding) = 0.16 nM Binding affinity determined against rabbit Coagulation factor Xa ChEMBL. 15771420
Ki (binding) = 0.19 nM Binding affinity against human Coagulation factor Xa ChEMBL. 15771420
Ki (binding) = 0.19 nM Binding affinity against blood clotting factor X ChEMBL. 15771420
Ki (binding) = 0.19 nM Binding affinity to rabbit f10a ChEMBL. 16682200
Ki (binding) = 0.19 nM Binding affinity to human f10a ChEMBL. 16682200
Ki (binding) = 0.19 nM Binding affinity to human f10a ChEMBL. 16870435
Ki (binding) = 0.19 nM Binding affinity to rabbit f10a ChEMBL. 16870435
Ki (binding) = 0.19 nM Inhibition of human factor 10a ChEMBL. 17588746
Ki (binding) = 540 nM Binding affinity against human thrombin ChEMBL. 15771420
Ki (binding) = 540 nM Binding affinity to thrombin ChEMBL. 16682200
Ki (binding) = 540 nM Binding affinity to human thrombin ChEMBL. 16870435
Ki (binding) = 600 nM Binding affinity against human thrombin ChEMBL. 15771420
Ki (binding) > 2300 nM Binding affinity determined against human kallikrein ChEMBL. 15771420
Ki (binding) = 8500 nM Binding affinity against chymotrysin ChEMBL. 15771420
Ki (binding) = 8500 nM Binding affinity to chymotrypsin ChEMBL. 16682200
Ki (binding) = 8500 nM Binding affinity to human chymotrypsin ChEMBL. 16870435
Ki (binding) = 9000 nM Binding affinity against human Coagulation factor IX ChEMBL. 15771420
Ki (binding) = 9000 nM Binding affinity to f9a ChEMBL. 16682200
Ki (binding) = 9000 nM Binding affinity to human f9a ChEMBL. 16870435
Ki (binding) > 10000 nM Binding affinity determined against human trypsin ChEMBL. 15771420
Ki (binding) > 10000 nM Binding affinity to trypsin ChEMBL. 16682200
Ki (binding) > 10000 nM Binding affinity to human trypsin ChEMBL. 16870435
Ki (binding) > 12000 nM Binding affinity determined against coagulation factor XI ChEMBL. 15771420
Ki (binding) > 13000 nM Binding affinity determined against human urokinase ChEMBL. 15771420
Ki (binding) > 13000 nM Binding affinity to urokinase ChEMBL. 16682200
Ki (binding) > 13000 nM Binding affinity to human urokinase ChEMBL. 16870435
Ki (binding) > 15000 nM Binding affinity against human plasmin ChEMBL. 15771420
Ki (binding) > 15000 nM Binding affinity against coagulation factor VIIa ChEMBL. 15771420
Ki (binding) > 15000 nM Binding affinity to plasmin ChEMBL. 16682200
Ki (binding) > 15000 nM Binding affinity to f7a ChEMBL. 16682200
Ki (binding) > 15000 nM Binding affinity to human plasmin ChEMBL. 16870435
Ki (binding) = 19700 nM Binding affinity determined against human activated protein C ChEMBL. 15771420
Ki (binding) = 19700 nM Binding affinity to aPC ChEMBL. 16682200
Ki (binding) = 19700 nM Binding affinity to human activated protein C ChEMBL. 16870435
Ki (binding) > 33000 nM Binding affinity determined against tissue plasminogen activator ChEMBL. 15771420
Ki (binding) > 33000 nM Binding affinity to tPA ChEMBL. 16682200
Ki (binding) > 33000 nM Binding affinity to human tPA ChEMBL. 16870435
Papp (ADMET) = 5.6 ucm/s Apparent permeability in Caco2 cells ChEMBL. 16682200
Papp (ADMET) = 5.6 ucm/s Apparent permeability in Caco2 cells ChEMBL. 16870435
Permeability (functional) = 0.00000556 cm s-1 Apparent permeability of the compound was determined in Caco-2 (dog carcinoma) cells ChEMBL. 15771420
Permeability (functional) = 5.56 cm s-1 Apparent cell permeability of the compound was determined in Caco-2 cell line ChEMBL. 15771420

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

4 literature references were collected for this gene.

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