Detailed information for compound 1057500

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 525.448 | Formula: C23H26Cl2N4O4S
  • H donors: 4 H acceptors: 5 LogP: 3.94 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(Cc1c(C)ccc(c1O)NS(=O)(=O)c1cccc(c1C)Cl)NCc1ccc(nc1C)N.Cl
  • InChi: 1S/C23H25ClN4O4S.ClH/c1-13-7-9-19(28-33(31,32)20-6-4-5-18(24)14(20)2)23(30)17(13)11-22(29)26-12-16-8-10-21(25)27-15(16)3;/h4-10,28,30H,11-12H2,1-3H3,(H2,25,27)(H,26,29);1H
  • InChiKey: SSFHJTZONAIWEM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor II (thrombin) Starlite/ChEMBL 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 multilocularis snurportin 1 0.0301 0.3848 0.3828
Trichomonas vaginalis set domain proteins, putative 0.0732 0.9637 0.9634
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0064 0.0056
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.0548 0.0517
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0337 0.0275
Loa Loa (eye worm) hypothetical protein 0.0049 0.0457 0.0417
Entamoeba histolytica hypothetical protein 0.0023 0.0104 0.0175
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.0548 0.0517
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0092 0.1037 0.1007
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0109 0.01
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0267 0.0204
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0076 0.0076
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.011 0.1273 0.1265
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0191 0.2371 0.2365
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0064 0.0056
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0378 0.0309
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0267 0.0204
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0064 0.0056
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0064 0.0032
Brugia malayi Pre-SET motif family protein 0.0092 0.1037 0.1037
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0083 0.0074
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0179 0.0116
Brugia malayi latrophilin 2 splice variant baaae 0.01 0.1148 0.1148
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0191 0.2371 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0104 0.0041
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0064 0.0056
Echinococcus granulosus importin subunit beta 1 0.0028 0.0176 0.0144
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0124 0.1461 0.1426
Schistosoma mansoni hypothetical protein 0.0047 0.0422 0.0414
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0027 0.0157 0.0149
Brugia malayi PHD-finger family protein 0.0026 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0035 0.0267 0.0227
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0422 0.0422
Loa Loa (eye worm) hypothetical protein 0.0025 0.0138 0.0098
Brugia malayi TAR-binding protein 0.0124 0.1461 0.1461
Loa Loa (eye worm) RNA binding protein 0.0124 0.1461 0.1426
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0191 0.2371 1
Schistosoma mansoni bromodomain containing protein 0.0065 0.0672 0.0665
Loa Loa (eye worm) hypothetical protein 0.0147 0.1773 0.174
Trichomonas vaginalis flap endonuclease-1, putative 0.0027 0.0157 0.0094
Schistosoma mansoni hypothetical protein 0.0512 0.6683 0.668
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0422 0.0391
Loa Loa (eye worm) MBCTL1 0.0056 0.0548 0.0509
Loa Loa (eye worm) hypothetical protein 0.0186 0.2295 0.2263
Brugia malayi Bromodomain containing protein 0.0032 0.0233 0.0233
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0267 0.0259
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.1057 0.1028
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0064 0.0056
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0191 0.2371 0.2365
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0027 0.0157 0.0149
Schistosoma mansoni glutathione synthetase 0.0191 0.2371 0.2365
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0457 0.0425
Schistosoma mansoni hypothetical protein 0.0021 0.0082 0.0074
Mycobacterium tuberculosis Conserved protein 0.0035 0.0267 0.0204
Schistosoma mansoni chromobox protein 0.0072 0.0761 0.0753
Onchocerca volvulus 0.0035 0.0267 0.0193
Mycobacterium ulcerans hypothetical protein 0.0035 0.0267 0.0204
Schistosoma mansoni hypothetical protein 0.003 0.02 0.0192
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0623 0.0592
Brugia malayi Importin beta-1 subunit 0.0028 0.0176 0.0176
Schistosoma mansoni DNA polymerase eta 0.0046 0.0417 0.0409
Brugia malayi mbt repeat family protein 0.0049 0.0457 0.0457
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0186 0.2295 0.2315
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0759 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.011 0.1273 0.1265
Schistosoma mansoni ran 0.0021 0.0076 0.0068
Mycobacterium ulcerans polyprenyl synthetase IdsB 0.0191 0.2371 0.2322
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0138 0.013
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.063 0.0591
Echinococcus granulosus dna polymerase eta 0.0046 0.0417 0.0386
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1461 0.1454
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0759 1 1
Schistosoma mansoni hypothetical protein 0.0301 0.3848 0.3843
Brugia malayi jmjC domain containing protein 0.0098 0.1118 0.1118
Trypanosoma brucei unspecified product 0.002 0.0064 0.0056
Echinococcus granulosus tissue type plasminogen activator 0.0021 0.0083 0.005
Schistosoma mansoni hypothetical protein 0.0047 0.0422 0.0414
Brugia malayi RNA, U transporter 1 0.008 0.0876 0.0876
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0422 0.0391
Echinococcus multilocularis dna polymerase kappa 0.002 0.0064 0.0032
Loa Loa (eye worm) polyprenyl synthetase 0.0191 0.2371 0.234
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0064 0.0056
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.0191 0.2371 0.2313
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0176 0.0144
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.0548 0.0548
Brugia malayi mbt repeat family protein 0.0049 0.0457 0.0457
Schistosoma mansoni hypothetical protein 0.0512 0.6683 0.668
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0064 0.0056
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0076 0.0068
Schistosoma mansoni hypothetical protein 0.01 0.1148 0.1141
Trypanosoma cruzi DNA polymerase eta, putative 0.0046 0.0417 0.0409
Loa Loa (eye worm) beta-lactamase 0.0035 0.0267 0.0227
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0267 0.0235
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0457 0.0425
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0267 0.0204
Echinococcus multilocularis geminin 0.0512 0.6683 0.6672
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1461 0.1454
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0033 0.0024
Mycobacterium tuberculosis Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase) 0.0191 0.2371 0.2322
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.1057 0.1028
Loa Loa (eye worm) hypothetical protein 0.0035 0.0267 0.0227
Schistosoma mansoni flap endonuclease-1 0.0024 0.0122 0.0114
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0285 0.0253
Echinococcus multilocularis zinc finger protein 0.002 0.0067 0.0035
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0267 0.0259
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0191 0.2371 0.2346
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0027 0.0157 0.0082
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0267 0.0192
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0267 0.0204
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0358 0.0327
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.0233 0.0224
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0082 0.0041
Leishmania major hypothetical protein, conserved 0.0021 0.0083 0.0074
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0759 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.1057 0.1028
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0104 0.0096
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.1118 0.1089
Brugia malayi Protein kinase domain containing protein 0.0021 0.0083 0.0083
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0267 0.0204
Loa Loa (eye worm) hypothetical protein 0.0035 0.0267 0.0227
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0759 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0267 0.0227
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0759 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1057 0.105
Brugia malayi beta-lactamase family protein 0.0035 0.0267 0.0267
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0267 0.0204
Brugia malayi PHD-finger family protein 0.003 0.02 0.02
Mycobacterium tuberculosis Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase) 0.0191 0.2371 0.2322
Loa Loa (eye worm) hypothetical protein 0.0044 0.0387 0.0347
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.02 0.0192
Echinococcus granulosus histone lysine methyltransferase setb 0.011 0.1273 0.1244
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0267 0.0204
Brugia malayi Polyprenyl synthetase family protein 0.0191 0.2371 0.2371
Loa Loa (eye worm) PHD-finger family protein 0.003 0.02 0.016
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0623 0.0592
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.02 0.0168
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0064 0.0056
Echinococcus granulosus chromobox protein 1 0.0072 0.0761 0.0731
Loa Loa (eye worm) hypothetical protein 0.0035 0.0267 0.0227
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0176 0.0168
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0294 0.0262
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0076 0.0043
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0759 1 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0267 0.0204
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0191 0.2371 1
Mycobacterium ulcerans beta-lactamase 0.0035 0.0267 0.0204
Schistosoma mansoni hypothetical protein 0.0021 0.0083 0.0074
Loa Loa (eye worm) hypothetical protein 0.01 0.1148 0.1111
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0191 0.2371 0.2346
Mycobacterium tuberculosis Conserved protein 0.0035 0.0267 0.0204
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0422 0.0391
Schistosoma mansoni chromobox protein 0.0072 0.0761 0.0753
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.0761 0.0723
Treponema pallidum octaprenyl-diphosphate synthase 0.0191 0.2371 0.5
Leishmania major solanesyl-diphosphate synthase, putative 0.0191 0.2371 0.2365
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0761 0.0701
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0191 0.2371 0.2365
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.0548 0.0517
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0311 0.0303
Schistosoma mansoni ran 0.0021 0.0076 0.0068
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0104 0.1194 0.1187
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0021 0.0083 0.0007
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0457 0.0417
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0109 0.0076
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0457 0.0449
Loa Loa (eye worm) hypothetical protein 0.011 0.1273 0.1237
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0193 0.2398 0.2373
Echinococcus multilocularis peregrin 0.0032 0.0233 0.0201
Echinococcus granulosus snurportin 1 0.0301 0.3848 0.3828
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0064 0.0032
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1461 0.1454
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.011 0.1273 0.1244
Loa Loa (eye worm) TAR-binding protein 0.0124 0.1461 0.1426
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0064 0.0056
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0191 0.2371 0.2371
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0191 0.2371 1
Brugia malayi Bromodomain containing protein 0.0077 0.0834 0.0834
Trichomonas vaginalis ran, putative 0.0021 0.0076 0.0012
Entamoeba histolytica Flap nuclease, putative 0.0027 0.0157 0.0403
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0033 0.0024
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0267 0.0204
Loa Loa (eye worm) polyprenyl synthetase 0.0759 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0311 0.028
Loa Loa (eye worm) hypothetical protein 0.0073 0.0775 0.0737
Brugia malayi Calcitonin receptor-like protein seb-1 0.0147 0.1773 0.1773
Leishmania major importin beta-1 subunit, putative 0.0023 0.0104 0.0096
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0147 0.1773 0.1773
Loa Loa (eye worm) hypothetical protein 0.0056 0.0548 0.0509
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0064 0.0056
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.02 0.0168
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0138 0.013
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0193 0.2398 0.2373
Loa Loa (eye worm) hypothetical protein 0.003 0.02 0.016
Giardia lamblia Farnesyl diphosphate synthase 0.0759 1 1
Echinococcus multilocularis tissue type plasminogen activator 0.0021 0.0083 0.005
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0267 0.0227
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0311 0.0303
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0301 0.3848 0.3823
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0337 0.0266
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0138 0.0063
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0064 0.0056
Plasmodium vivax importin-beta 2, putative 0.0028 0.0176 0.0101
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0457 0.0425
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0104 0.0041
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0191 0.2371 0.234
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0092 0.1037 0.1029
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0138 0.0063
Echinococcus granulosus geminin 0.0512 0.6683 0.6672
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0759 1 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0267 0.0204
Echinococcus granulosus tar DNA binding protein 0.0124 0.1461 0.1434
Echinococcus multilocularis flap endonuclease 1 0.0027 0.0157 0.0125
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0064 0.0056
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0104 0.0041
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0759 1 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0076 0.0012
Brugia malayi hypothetical protein 0.0025 0.0138 0.0138
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0759 1 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0076 0.0068
Loa Loa (eye worm) hypothetical protein 0.0035 0.0267 0.0227
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0457 0.0449
Brugia malayi Heterochromatin protein 1 0.0072 0.0761 0.0761
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0076 0.0043
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0191 0.2371 0.2313
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0358 0.0327
Giardia lamblia Flap structure-specific endonuclease 0.0027 0.0157 0.0094
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0179 0.0116
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0191 0.2371 0.5
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0076 0.0035
Brugia malayi Bromodomain containing protein 0.0039 0.0327 0.0327
Brugia malayi ImpB/MucB/SamB family protein 0.0046 0.0417 0.0417
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0138 0.013
Loa Loa (eye worm) hypothetical protein 0.0046 0.0417 0.0377
Brugia malayi Kringle domain containing protein 0.0021 0.0083 0.0083
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0759 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0643 0.8442 0.8436
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0422 0.0422
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0759 1 1
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0761 0.0701
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.0191 0.2371 0.2365
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.0548 0.0517
Brugia malayi RNA binding protein 0.0124 0.1461 0.1461
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1461 0.1454
Plasmodium vivax hypothetical protein, conserved 0.003 0.02 0.0125
Brugia malayi beta-lactamase family protein 0.0035 0.0267 0.0267
Echinococcus granulosus chromobox protein 1 0.0072 0.0761 0.0731
Loa Loa (eye worm) hypothetical protein 0.0028 0.0176 0.0136
Leishmania major DNA polymerase eta, putative 0.0032 0.0233 0.0224
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.0157 0.0116
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.1057 0.1028
Loa Loa (eye worm) hypothetical protein 0.0051 0.0488 0.0449
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0064 0.0056
Trypanosoma brucei DNA polymerase eta, putative 0.0046 0.0417 0.0409
Onchocerca volvulus 0.0035 0.0267 0.0193
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0064 0.0056
Leishmania major DNA polymerase kappa, putative 0.002 0.0064 0.0056
Schistosoma mansoni zinc finger protein 0.002 0.0067 0.0059
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0267 0.0204
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.0457 0.0391
Leishmania major GTP-binding protein, putative 0.0021 0.0076 0.0068
Onchocerca volvulus 0.0732 0.9637 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0089 0.0991 0.0962
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0378 0.0316
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0311 0.0271
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0109 0.0076
Onchocerca volvulus 0.0035 0.0267 0.0193
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0064 0.0023
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0076 0.0068
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0457 0.0425
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0267 0.0204
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.1057 0.1021
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.02 0.0125
Trypanosoma cruzi polyprenyl synthase, putative 0.0191 0.2371 0.2365
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0422 0.0383
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0759 1 1
Brugia malayi Pre-SET motif family protein 0.0643 0.8442 0.8442
Brugia malayi Flap endonuclease-1 0.0027 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.0032 0.022 0.018
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0267 0.0259
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0027 0.0157 0.0149
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0064 0.0056
Plasmodium falciparum cysteine repeat modular protein 1 0.0021 0.0083 0.0007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1057 0.105
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0064 0.0064
Leishmania major hypothetical protein, conserved 0.0035 0.0267 0.0259
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0191 0.2371 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.1057 0.1057
Entamoeba histolytica Ran family GTPase 0.0021 0.0076 0.0052
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0191 0.2371 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.1118 0.1089
Leishmania major farnesyl pyrophosphate synthase 0.0759 1 1
Loa Loa (eye worm) TK/ROR protein kinase 0.0021 0.0083 0.0042
Plasmodium falciparum importin beta, putative 0.0028 0.0176 0.0101
Brugia malayi RNA recognition motif domain containing protein 0.0124 0.1461 0.1461
Brugia malayi hypothetical protein 0.0016 0.0017 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0064 0.0056
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.28 0.2753
Loa Loa (eye worm) hypothetical protein 0.0042 0.036 0.0321
Schistosoma mansoni hypothetical protein 0.0047 0.0422 0.0414
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0267 0.0204
Onchocerca volvulus 0.0032 0.022 0.0144
Loa Loa (eye worm) hypothetical protein 0.0021 0.0083 0.0042
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0176 0.0101
Echinococcus multilocularis chromobox protein 1 0.0072 0.0761 0.0731
Toxoplasma gondii kringle domain-containing protein 0.0021 0.0083 0.0007
Plasmodium falciparum flap endonuclease 1 0.0027 0.0157 0.0082
Brugia malayi jmjC domain containing protein 0.0038 0.0311 0.0311
Echinococcus granulosus peregrin 0.0032 0.0233 0.0201
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1057 0.105
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0267 0.0259
Trichomonas vaginalis esterase, putative 0.0035 0.0267 0.0204
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0138 0.0063
Echinococcus multilocularis GPCR, family 2 0.0047 0.0422 0.0391
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0191 0.2371 0.2346
Plasmodium vivax flap endonuclease 1, putative 0.0027 0.0157 0.0082
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0759 1 1
Plasmodium vivax SET domain protein, putative 0.0092 0.1037 0.0968
Onchocerca volvulus 0.0049 0.0457 0.0391
Onchocerca volvulus 0.0104 0.1194 0.1164
Schistosoma mansoni jumonji domain containing protein 0.0078 0.0846 0.0839
Schistosoma mansoni hypothetical protein 0.0047 0.0422 0.0414
Onchocerca volvulus Alhambra homolog 0.003 0.02 0.0123
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0064 0.0056
Leishmania major hypothetical protein, conserved 0.0025 0.0138 0.013
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0191 0.2371 0.2346
Mycobacterium tuberculosis Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate 0.0191 0.2371 0.2322
Mycobacterium tuberculosis Conserved protein 0.0035 0.0267 0.0204
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0147 0.1773 0.174
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0267 0.0204
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0422 0.0391
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0064 0.0056
Loa Loa (eye worm) hypothetical protein 0.0047 0.0422 0.0383
Echinococcus multilocularis chromobox protein 1 0.0072 0.0761 0.0731
Schistosoma mansoni hypothetical protein 0.0298 0.3809 0.3804
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0092 0.1037 0.0968
Brugia malayi chromobox protein homolog 3 0.004 0.0337 0.0337
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0191 0.2371 0.2346
Toxoplasma gondii ABC1 family protein 0.0035 0.0267 0.0192
Echinococcus multilocularis dna polymerase eta 0.0046 0.0417 0.0386
Schistosoma mansoni importin beta-1 0.0028 0.0176 0.0168
Giardia lamblia PHD finger protein 15 0.003 0.02 0.0137
Plasmodium falciparum phd finger protein, putative 0.003 0.02 0.0125
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1461 0.1454
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0064 0.0056
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0191 0.2371 0.2365
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0064 0.0056
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0337 0.0275
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0759 1 1
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0457 0.0449
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0378 0.0316
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0267 0.0259
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.0233 0.0158
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.0548 0.054
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0191 0.2371 0.2346
Loa Loa (eye worm) hypothetical protein 0.0039 0.0328 0.0288
Echinococcus granulosus dna polymerase kappa 0.002 0.0064 0.0032
Leishmania major DNA polymerase eta, putative 0.0046 0.0417 0.0409
Brugia malayi beta-lactamase 0.0035 0.0267 0.0267
Echinococcus granulosus zinc finger protein 0.002 0.0067 0.0035
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0176 0.0168
Leishmania major polyprenyl synthase, putative 0.0191 0.2371 0.2365
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0267 0.0235
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0267 0.0267
Echinococcus granulosus GPCR family 2 0.0047 0.0422 0.0391
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0294 0.0262
Echinococcus granulosus flap endonuclease 1 0.0027 0.0157 0.0125
Brugia malayi N-terminal motif family protein 0.0186 0.2295 0.2295
Echinococcus multilocularis tar DNA binding protein 0.0124 0.1461 0.1434
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.02 0.0125
Schistosoma mansoni trans-prenyltransferase 0.0191 0.2371 0.2365
Mycobacterium ulcerans polyprenyl diphosphate synthetase, GrcC1 0.0191 0.2371 0.2322
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0759 1 1
Trypanosoma cruzi polyprenyl synthase, putative 0.0191 0.2371 0.2365
Loa Loa (eye worm) hypothetical protein 0.004 0.0337 0.0297
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.0191 0.2371 0.2313
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0267 0.0204
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0138 0.0063

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.19 uM Inhibitory activity against thrombin ChEMBL. 16290930
IC50 (binding) > 44 uM Inhibitory activity against trypsin ChEMBL. 16290930

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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