Detailed information for compound 54456

Basic information

Technical information
  • TDR Targets ID: 54456
  • Name: (2S)-N-benzyl-3-phenyl-2-[(2-sulfanylidene-3H -1,3,4-thiadiazol-5-yl)carbamoylamino]propana mide
  • MW: 413.516 | Formula: C19H19N5O2S2
  • H donors: 3 H acceptors: 4 LogP: 3.02 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N[C@H](C(=O)NCc1ccccc1)Cc1ccccc1)Nc1nnc(s1)S
  • InChi: 1S/C19H19N5O2S2/c25-16(20-12-14-9-5-2-6-10-14)15(11-13-7-3-1-4-8-13)21-17(26)22-18-23-24-19(27)28-18/h1-10,15H,11-12H2,(H,20,25)(H,24,27)(H2,21,22,23,26)/t15-/m0/s1
  • InChiKey: WRCBYIDAMSAFKR-HNNXBMFYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-N-benzyl-3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide
  • (2S)-N-benzyl-2-[[oxo-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]-3-phenylpropanamide
  • (2S)-3-phenyl-N-(phenylmethyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide
  • (2S)-N-benzyl-3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propionamide
  • (2S)-3-phenyl-N-(phenylmethyl)-2-[(5-sulfanylidene-4H-1,3,4-thiadiazol-2-yl)carbamoylamino]propanamide
  • (2S)-3-phenyl-N-(phenylmethyl)-2-[(5-thioxo-4H-1,3,4-thiadiazol-2-yl)carbamoylamino]propanamide
  • (2S)-2-[[oxo-[(5-thioxo-4H-1,3,4-thiadiazol-2-yl)amino]methyl]amino]-3-phenyl-N-(phenylmethyl)propanamide
  • (2S)-N-(benzyl)-3-phenyl-2-[(5-thioxo-4H-1,3,4-thiadiazol-2-yl)carbamoylamino]propionamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens matrix metallopeptidase 1 (interstitial collagenase) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 3 (stromelysin 1, progelatinase) 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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Matrixin family protein matrix metallopeptidase 1 (interstitial collagenase) 403 aa 401 aa 27.7 %
Echinococcus granulosus matrix metallopeptidase 7 M10 family matrix metallopeptidase 3 (stromelysin 1, progelatinase) 477 aa 431 aa 34.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii kinase, pfkB family protein 0.0641 0.7653 1
Brugia malayi intermediate filament protein 0.0026 0.0032 0.0036
Loa Loa (eye worm) Smad1 0.0043 0.0236 0.0236
Entamoeba histolytica hypothetical protein 0.0074 0.0624 0.0079
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0032 0.0036
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.0854 0.0825
Brugia malayi Smad1 0.0043 0.0236 0.0268
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0032 0.0032
Toxoplasma gondii isocitrate dehydrogenase 0.0067 0.0538 0.0632
Onchocerca volvulus Alhambra homolog 0.0028 0.0058 0.003
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0048 0.0303 0.0272
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0131 0.01
Brugia malayi hypoxia-induced factor 1 0.0151 0.1575 0.1785
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0067 0.0538 0.0508
Plasmodium falciparum protein kinase 5 0.0141 0.1459 1
Echinococcus granulosus pseudouridine metabolizing bifunctional protein 0.0073 0.0613 0.0583
Onchocerca volvulus Ribokinase homolog 0.0073 0.0613 0.0661
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.2546 0.2523
Loa Loa (eye worm) matrix metalloproteinase 0.0053 0.036 0.036
Schistosoma mansoni hypothetical protein 0.0039 0.0197 0.0166
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0195 0.0164
Brugia malayi MH2 domain containing protein 0.0043 0.0236 0.0268
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0379 0.043
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0379 0.043
Trichomonas vaginalis ribokinase, putative 0.0073 0.0613 0.3201
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0067 0.0538 0.325
Loa Loa (eye worm) hypothetical protein 0.0053 0.036 0.036
Brugia malayi jmjC domain containing protein 0.0093 0.0854 0.0968
Entamoeba histolytica protein kinase, putative 0.0188 0.2033 1
Echinococcus multilocularis adenosine kinase 0.0641 0.7653 0.7645
Leishmania major hypothetical protein, conserved 0.0107 0.1034 0.0697
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0188 0.2033 0.2033
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0032 0.0032
Echinococcus granulosus geminin 0.0687 0.8216 0.821
Mycobacterium tuberculosis Adenosine kinase 0.0073 0.0613 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.043 0.043
Loa Loa (eye worm) hypothetical protein 0.0185 0.1999 0.1999
Trypanosoma brucei ribokinase, putative 0.0073 0.0613 0.0792
Brugia malayi hypothetical protein 0.0163 0.1732 0.1963
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0064 0.0502 0.0569
Schistosoma mansoni hypothetical protein 0.0084 0.0743 0.0713
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0379 0.0379
Trypanosoma brucei ribokinase, putative 0.0073 0.0613 0.0792
Giardia lamblia Ribokinase 0.0073 0.0613 0.3964
Trypanosoma cruzi adenosine kinase, putative 0.0073 0.0613 0.0106
Schistosoma mansoni hypothetical protein 0.0687 0.8216 0.821
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0058 0.0026
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0043 0.0236 0.0205
Echinococcus multilocularis smad 0.0043 0.0236 0.0205
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0188 0.2033 0.2101
Loa Loa (eye worm) isocitrate dehydrogenase 0.0067 0.0538 0.0538
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0324 0.0293
Loa Loa (eye worm) hypothetical protein 0.0073 0.0613 0.0613
Entamoeba histolytica cell division protein kinase 2, putative 0.0141 0.1459 0.5956
Leishmania major adenosine kinase-like protein 0.0073 0.0613 0.0106
Schistosoma mansoni aryl hydrocarbon receptor 0.0049 0.0311 0.0281
Leishmania major tagatose-6-phosphate kinase-like protein 0.0073 0.0613 0.0106
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.0624 0.0595
Entamoeba histolytica hypothetical protein 0.0074 0.0624 0.0079
Onchocerca volvulus 0.0075 0.0632 0.0683
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0067 0.0538 0.0694
Schistosoma mansoni hypothetical protein 0.0039 0.0197 0.0166
Echinococcus granulosus single minded 2 0.0036 0.0154 0.0123
Schistosoma mansoni hypothetical protein 0.0687 0.8216 0.821
Brugia malayi isocitrate dehydrogenase 0.0067 0.0538 0.061
Loa Loa (eye worm) hypothetical protein 0.0831 1 1
Mycobacterium tuberculosis 6-phosphofructokinase PfkB (phosphohexokinase) (phosphofructokinase) 0.0073 0.0613 1
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0058 0.0058
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0167 0.0189
Brugia malayi hypothetical protein 0.0398 0.4635 0.5252
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0067 0.0538 0.0508
Trichomonas vaginalis conserved hypothetical protein 0.0073 0.0613 0.3201
Echinococcus multilocularis protein dispatched 1 0.0047 0.0287 0.0256
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0618 0.0589
Echinococcus multilocularis ribokinase 0.0073 0.0613 0.0583
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0141 0.1459 0.1844
Mycobacterium ulcerans carbohydrate kinase CbhK 0.0073 0.0613 1
Brugia malayi hypothetical protein 0.0229 0.2546 0.2886
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0058 0.0026
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0067 0.0538 0.0694
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0287 0.0325
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0188 0.2033 0.2101
Plasmodium falciparum ataxin-2 like protein, putative 0.0107 0.1034 0.697
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.1397 0.137
Schistosoma mansoni hypothetical protein 0.0039 0.0197 0.0166
Schistosoma mansoni hypothetical protein 0.0075 0.0632 0.0603
Plasmodium falciparum ataxin-2 like protein, putative 0.0107 0.1034 0.697
Onchocerca volvulus 0.0736 0.8825 1
Loa Loa (eye worm) matrixin family protein 0.0127 0.1284 0.1284
Brugia malayi cell division control protein 2 homolog 0.0141 0.1459 0.1653
Trypanosoma brucei PAB1-binding protein , putative 0.0107 0.1034 0.1343
Brugia malayi hypothetical protein 0.0107 0.1034 0.1172
Echinococcus multilocularis dual specificity 0.0188 0.2033 0.2007
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0831 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0141 0.1459 0.1432
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0131 0.01
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0053 0.036 0.0329
Trypanosoma brucei RNA helicase, putative 0.0084 0.0743 0.0962
Loa Loa (eye worm) hypothetical protein 0.0048 0.0308 0.0308
Loa Loa (eye worm) hypothetical protein 0.0041 0.0215 0.0215
Schistosoma mansoni serine/threonine protein kinase 0.0188 0.2033 0.2007
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0215 0.0184
Trypanosoma cruzi cdc2-related kinase 3 0.0141 0.1459 0.1294
Loa Loa (eye worm) hypothetical protein 0.0398 0.4635 0.4635
Entamoeba histolytica cell division protein kinase 2, putative 0.0141 0.1459 0.5956
Loa Loa (eye worm) transcription factor SMAD2 0.0626 0.7462 0.7462
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0067 0.0538 0.0508
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.0908 0.0879
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.0624 0.0595
Echinococcus granulosus adenosine kinase 0.0641 0.7653 0.7645
Mycobacterium ulcerans fructokinase, PfkB 0.0073 0.0613 1
Schistosoma mansoni smad 0.0043 0.0236 0.0205
Brugia malayi MH2 domain containing protein 0.0626 0.7462 0.8456
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0215 0.0184
Schistosoma mansoni adenosine kinase 0.0641 0.7653 0.7645
Trypanosoma cruzi PAB1-binding protein , putative 0.0107 0.1034 0.0697
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0324 0.0293
Echinococcus granulosus cyclin dependent kinase 5 0.0141 0.1459 0.1432
Brugia malayi Bromodomain containing protein 0.0028 0.0058 0.0065
Leishmania major putative PfkB family sugar kinase 0.0073 0.0613 0.0106
Loa Loa (eye worm) hypoxia-induced factor 1 0.0151 0.1575 0.1575
Schistosoma mansoni smad1 5 8 and 0.0043 0.0236 0.0205
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.089 0.1948
Schistosoma mansoni ribokinase 0.0073 0.0613 0.0583
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.0854 0.0825
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0191 0.2078 0.2053
Entamoeba histolytica hypothetical protein 0.0188 0.2033 1
Brugia malayi CHE-14 protein 0.0041 0.0215 0.0244
Echinococcus granulosus expressed conserved protein 0.009 0.0818 0.0789
Leishmania major tagatose-6-phosphate kinase-like protein 0.0073 0.0613 0.0106
Echinococcus multilocularis isocitrate dehydrogenase 0.0067 0.0538 0.0508
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0141 0.1459 0.1294
Echinococcus multilocularis cyclin dependent kinase 1 0.0141 0.1459 0.1432
Onchocerca volvulus Matrilysin homolog 0.0117 0.1154 0.1276
Trypanosoma brucei adenosine kinase, putative 0.0641 0.7653 1
Loa Loa (eye worm) hypothetical protein 0.0398 0.4635 0.4635
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0324 0.0367
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0141 0.1459 0.1294
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0324 0.0293
Mycobacterium ulcerans hydrolase 0.0064 0.0502 0.7574
Brugia malayi PAS domain containing protein 0.0049 0.0311 0.0353
Schistosoma mansoni serine/threonine protein kinase 0.0141 0.1459 0.1432
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0191 0.2078 0.2053
Echinococcus multilocularis Smad4 0.0043 0.0236 0.0205
Brugia malayi PHD-finger family protein 0.0028 0.0058 0.0065
Echinococcus granulosus ribokinase 0.0073 0.0613 0.0583
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0067 0.0538 0.3428
Schistosoma mansoni hypothetical protein 0.0039 0.0197 0.0166
Trichomonas vaginalis CMGC family protein kinase 0.0141 0.1459 1
Mycobacterium leprae Probable adenosine kinase adk 0.0073 0.0613 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0107 0.1034 0.0697
Schistosoma mansoni smad1 5 8 and 0.0043 0.0236 0.0205
Echinococcus multilocularis cyclin dependent kinase 0.0141 0.1459 0.1432
Onchocerca volvulus 0.0568 0.6747 0.7638
Brugia malayi Matrixin family protein 0.0053 0.036 0.0408
Brugia malayi Ribokinase 0.0073 0.0613 0.0695
Loa Loa (eye worm) MH1 domain-containing protein 0.0043 0.0236 0.0236
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0131 0.01
Brugia malayi Protein kinase domain containing protein 0.0141 0.1459 0.1653
Trypanosoma brucei adenosine kinase, putative 0.0641 0.7653 1
Echinococcus multilocularis cyclin dependent kinase 5 0.0141 0.1459 0.1432
Schistosoma mansoni hypothetical protein 0.0037 0.0167 0.0136
Toxoplasma gondii kinase, pfkB family protein 0.0073 0.0613 0.0731
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0141 0.1459 0.1459
Brugia malayi Pax transcription factor protein 2 0.0736 0.8825 1
Brugia malayi bHLH-PAS transcription factor 0.0036 0.0154 0.0175
Trypanosoma cruzi ribokinase, putative 0.0073 0.0613 0.0106
Loa Loa (eye worm) hypothetical protein 0.0064 0.0502 0.0502
Brugia malayi Matrixin family protein 0.0053 0.036 0.0408
Loa Loa (eye worm) hypothetical protein 0.0139 0.1425 0.1425
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0067 0.0538 0.0508
Schistosoma mansoni hypothetical protein 0.0047 0.0287 0.0256
Plasmodium vivax ataxin-2 like protein, putative 0.0107 0.1034 0.697
Entamoeba histolytica protein kinase domain containing protein 0.0188 0.2033 1
Echinococcus granulosus cyclin dependent kinase 0.0141 0.1459 0.1432
Loa Loa (eye worm) hypothetical protein 0.0641 0.7653 0.7653
Brugia malayi MH2 domain containing protein 0.0043 0.0236 0.0268
Trypanosoma cruzi cdc2-related kinase 1 0.0141 0.1459 0.1294
Schistosoma mansoni Smad4 0.0043 0.0236 0.0205
Echinococcus granulosus cyclin dependent kinase 1 0.0141 0.1459 0.1432
Echinococcus multilocularis protein patched 0.0041 0.0215 0.0184
Loa Loa (eye worm) hypothetical protein 0.0107 0.1034 0.1034
Brugia malayi Isocitrate dehydrogenase 0.0067 0.0538 0.061
Echinococcus granulosus mothers against decapentaplegic 5 0.0043 0.0236 0.0205
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.089 0.0861
Schistosoma mansoni hypothetical protein 0.0028 0.0058 0.0026
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.089 0.1008
Loa Loa (eye worm) hypothetical protein 0.0163 0.1732 0.1732
Trypanosoma brucei cdc2-related kinase 3 0.0141 0.1459 0.1898
Loa Loa (eye worm) hypothetical protein 0.0026 0.0026 0.0026
Toxoplasma gondii LsmAD domain-containing protein 0.0107 0.1034 0.1286
Trypanosoma cruzi cdc2-related kinase 1 0.0141 0.1459 0.1294
Echinococcus multilocularis geminin 0.0687 0.8216 0.821
Trichomonas vaginalis ribokinase, putative 0.0073 0.0613 0.3201
Brugia malayi MH1 domain containing protein 0.0043 0.0236 0.0268
Trichomonas vaginalis CMGC family protein kinase 0.0141 0.1459 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0043 0.0236 0.0205
Loa Loa (eye worm) pax transcription factor protein 2 0.0736 0.8825 0.8825
Leishmania major adenosine kinase-like protein 0.0073 0.0613 0.0106
Loa Loa (eye worm) matrixin family protein 0.0117 0.1154 0.1154
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0188 0.2033 0.2101
Echinococcus multilocularis peregrin 0.0028 0.0058 0.0026
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.1397 0.137
Entamoeba histolytica protein kinase, putative 0.0188 0.2033 1
Schistosoma mansoni adenosine kinase 0.0641 0.7653 0.7645
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0324 0.0324
Echinococcus granulosus Smad4 0.0043 0.0236 0.0205
Loa Loa (eye worm) hypothetical protein 0.005 0.0329 0.0329
Brugia malayi Adenosine kinase-like 0.0641 0.7653 0.8672
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0786 0.9442 0.944
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0141 0.1459 0.1432
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0131 0.0131
Brugia malayi Matrixin family protein 0.0127 0.1284 0.1455
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0324 0.0293
Schistosoma mansoni hypothetical protein 0.0074 0.0624 0.0595
Echinococcus multilocularis expressed conserved protein 0.009 0.0818 0.0789
Loa Loa (eye worm) hypothetical protein 0.0073 0.0613 0.0613
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0067 0.0538 0.3428
Brugia malayi MH1 domain containing protein 0.0043 0.0236 0.0268
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0141 0.1459 0.1459
Loa Loa (eye worm) hypothetical protein 0.0185 0.1999 0.1999
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0215 0.0184
Onchocerca volvulus Matrix metalloproteinase homolog 0.0117 0.1154 0.1276
Brugia malayi hypothetical protein 0.0073 0.0613 0.0695
Onchocerca volvulus 0.0053 0.036 0.0373
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.2546 0.2523
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.0624 0.0595
Trypanosoma cruzi adenosine kinase, putative 0.0073 0.0613 0.0106
Brugia malayi Matrixin family protein 0.0053 0.036 0.0408
Leishmania major ribokinase, putative 0.0073 0.0613 0.0106
Brugia malayi Hemopexin family protein 0.0075 0.0632 0.0716
Loa Loa (eye worm) hypothetical protein 0.0053 0.036 0.036
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0043 0.0236 0.0205
Onchocerca volvulus Putative pyridoxal kinase 0.0073 0.0613 0.0661
Echinococcus multilocularis cyclin dependent kinase 1 0.0141 0.1459 0.1432
Loa Loa (eye worm) MH2 domain-containing protein 0.0626 0.7462 0.7462
Schistosoma mansoni patched 1 0.0041 0.0215 0.0184
Loa Loa (eye worm) hypothetical protein 0.0026 0.0032 0.0032
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0131 0.01
Onchocerca volvulus 0.0073 0.0613 0.0661
Loa Loa (eye worm) MH2 domain-containing protein 0.0043 0.0236 0.0236
Trichomonas vaginalis CMGC family protein kinase 0.0141 0.1459 1
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0195 0.0164
Echinococcus granulosus peregrin 0.0028 0.0058 0.0026
Trypanosoma cruzi adenosine kinase, putative 0.0641 0.7653 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0067 0.0538 0.0508
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0215 0.0215
Brugia malayi hypothetical protein 0.0074 0.0624 0.0708
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0067 0.0538 0.0508
Loa Loa (eye worm) hypothetical protein 0.0229 0.2546 0.2546
Brugia malayi Matrixin family protein 0.0053 0.036 0.0408
Onchocerca volvulus 0.0315 0.3606 0.4066
Giardia lamblia Kinase, CMGC CDK 0.0141 0.1459 1
Entamoeba histolytica hypothetical protein 0.0074 0.0624 0.0079
Schistosoma mansoni hypothetical protein 0.0048 0.0303 0.0272
Trypanosoma brucei cdc2-related kinase 1 0.0141 0.1459 0.1898
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0048 0.0303 0.0272
Echinococcus granulosus TGF beta signal transducer SmadC 0.0043 0.0236 0.0205
Onchocerca volvulus 0.0047 0.0287 0.029
Schistosoma mansoni single-minded 0.0049 0.0311 0.0281
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.089 0.0861
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0141 0.1459 0.1459
Plasmodium vivax protein kinase Crk2 0.0141 0.1459 1
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.0831 1 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0058 0.0026
Brugia malayi hypothetical protein 0.0315 0.3606 0.4087
Schistosoma mansoni survival motor neuron protein 0.0047 0.0287 0.0256
Loa Loa (eye worm) hypothetical protein 0.0054 0.0379 0.0379
Loa Loa (eye worm) hypothetical protein 0.0037 0.0167 0.0167
Brugia malayi hypothetical protein 0.0069 0.0564 0.0639
Loa Loa (eye worm) hypothetical protein 0.0028 0.0058 0.0058
Onchocerca volvulus 0.0036 0.0154 0.014
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0324 0.0293
Loa Loa (eye worm) hypothetical protein 0.0053 0.036 0.036
Leishmania major adenosine kinase, putative 0.0641 0.7653 1
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0188 0.2033 0.2649
Onchocerca volvulus Matrilysin homolog 0.0053 0.036 0.0373
Echinococcus multilocularis transfer RNA-Lys 0.0036 0.0154 0.0123
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0324 0.0293
Trypanosoma cruzi adenosine kinase, putative 0.0641 0.7653 1
Entamoeba histolytica hypothetical protein 0.0074 0.0624 0.0079
Mycobacterium tuberculosis Ribokinase RbsK 0.0073 0.0613 1
Brugia malayi Protein kinase domain containing protein 0.0188 0.2033 0.2303
Echinococcus multilocularis pseudouridine metabolizing bifunctional protein 0.0073 0.0613 0.0583
Schistosoma mansoni smad1 5 8 and 0.0043 0.0236 0.0205
Echinococcus granulosus smad 0.0043 0.0236 0.0205
Echinococcus granulosus dual specificity 0.0188 0.2033 0.2007
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0324 0.0293
Giardia lamblia Kinase, CMGC CDK 0.0141 0.1459 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.089 0.089
Trypanosoma cruzi cdc2-related kinase 3 0.0141 0.1459 0.1294
Trichomonas vaginalis ribokinase, putative 0.0073 0.0613 0.3201
Toxoplasma gondii isocitrate dehydrogenase 0.0067 0.0538 0.0632
Brugia malayi jmjC domain containing protein 0.0034 0.0131 0.0149
Loa Loa (eye worm) hypothetical protein 0.0315 0.3606 0.3606

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.51 uM Binding affinity for matrix metalloproteinase-3 ChEMBL. 10229623
Ki (binding) = 0.51 uM Binding affinity for matrix metalloproteinase-3 ChEMBL. 10229623
Ki (binding) = 15 uM Binding affinity for matrix metalloproteinase-1 ChEMBL. 10229623
Ki (binding) = 15 uM Binding affinity for matrix metalloproteinase-1 ChEMBL. 10229623

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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