Detailed information for compound 1451375

Basic information

Technical information
  • TDR Targets ID: 1451375
  • Name: 6-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)s ulfanylmethyl]pyrido[2,1-b]pyrimidin-4-one
  • MW: 304.391 | Formula: C13H12N4OS2
  • H donors: 0 H acceptors: 3 LogP: 1.69 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nnc(s1)SCc1cc(=O)n2c(n1)cccc2C
  • InChi: 1S/C13H12N4OS2/c1-8-4-3-5-11-14-10(6-12(18)17(8)11)7-19-13-16-15-9(2)20-13/h3-6H,7H2,1-2H3
  • InChiKey: HUBPJEJEOSUZNT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-methyl-2-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-pyrido[2,1-b]pyrimidinone
  • 6-methyl-2-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]pyrido[2,1-b]pyrimidin-4-one
  • NCGC00133654-01
  • ZINC07293830
  • G755-0005

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Schistosoma mansoni glutamate receptor kainate 0.004 0.0229 0.0422
Leishmania major hypothetical protein, conserved 0.0049 0.0357 0.0626
Trypanosoma brucei squalene synthase, putative 0.0251 0.3007 0.545
Entamoeba histolytica cysteine protease, putative 0.0031 0.0111 0.1485
Schistosoma mansoni cercarial elastase (S01 family) 0.0045 0.0296 0.0545
Mycobacterium ulcerans hypothetical protein 0.0043 0.0281 0.1198
Echinococcus multilocularis acylamino acid releasing enzyme 0.0071 0.0643 0.0643
Brugia malayi cathepsin L-like precursor 0.0037 0.0199 0.0334
Entamoeba histolytica cysteine proteinase 1, putative 0.0031 0.0111 0.1485
Leishmania major cathepsin L-like protease 0.0052 0.0388 0.0683
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0281 0.0586
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0115 0.0213
Mycobacterium ulcerans lipase LipD 0.0043 0.0281 0.1198
Loa Loa (eye worm) hypothetical protein 0.0043 0.0281 0.0485
Echinococcus multilocularis prolyl endopeptidase 0.0435 0.5424 0.5424
Brugia malayi beta-lactamase family protein 0.0043 0.0281 0.0485
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0045 0.0296 0.0296
Trypanosoma cruzi cysteine peptidase, putative 0.0052 0.0388 0.052
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.0357 0.0463
Onchocerca volvulus 0.0045 0.0296 0.0513
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.019 0.2207 0.3944
Echinococcus granulosus glycoprotein Antigen 5 0.0045 0.0296 0.0545
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0045 0.0296 0.0513
Echinococcus multilocularis glutamate receptor 2 0.0036 0.0184 0.0184
Brugia malayi Trypsin family protein 0.0045 0.0296 0.0513
Brugia malayi TAR-binding protein 0.0063 0.0535 0.0956
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.019 0.2207 0.3944
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0099 0.1004 1
Brugia malayi Papain family cysteine protease containing protein 0.0031 0.0111 0.0172
Echinococcus granulosus cathepsin L cysteine protease 0.0031 0.0111 0.0205
Brugia malayi prolyl oligopeptidase family protein 0.0071 0.0643 0.1155
Brugia malayi Cathepsin L-like precursor 0.0052 0.0388 0.0683
Schistosoma mansoni glutamate receptor kainate 0.004 0.0229 0.0422
Echinococcus granulosus enteropeptidase 0.0045 0.0296 0.0545
Entamoeba histolytica hypothetical protein, conserved 0.0071 0.0643 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0357 0.4622
Mycobacterium tuberculosis Conserved protein 0.0043 0.0281 0.0586
Entamoeba histolytica cysteine proteinase 2 0.0031 0.0111 0.1485
Onchocerca volvulus 0.0052 0.0388 0.0683
Loa Loa (eye worm) hypothetical protein 0.0045 0.0296 0.0513
Schistosoma mansoni cercarial elastase (S01 family) 0.0045 0.0296 0.0545
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0388 0.3093
Loa Loa (eye worm) glutamate receptor 0.0047 0.0332 0.0579
Entamoeba histolytica cysteine proteinase, putative 0.0031 0.0111 0.1485
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0388 0.3093
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0388 0.3093
Loa Loa (eye worm) hypothetical protein 0.0045 0.0296 0.0513
Entamoeba histolytica cysteine protease, putative 0.0031 0.0111 0.1485
Schistosoma mansoni metabotropic glutamate receptor 0.0041 0.0247 0.0455
Echinococcus granulosus cathepsin l cysteine peptidase 0.0052 0.0388 0.0714
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0388 0.052
Toxoplasma gondii hypothetical protein 0.0071 0.0643 0.0704
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0295 0.0512
Entamoeba histolytica cysteine proteinase, putative 0.0052 0.0388 0.591
Brugia malayi Cathepsin L-like precursor 0.0052 0.0388 0.0683
Brugia malayi Trypsin family protein 0.0045 0.0296 0.0513
Loa Loa (eye worm) hypothetical protein 0.0071 0.0643 0.1155
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0992 0.1801
Schistosoma mansoni cathepsin F (C01 family) 0.0052 0.0388 0.0714
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0535 0.0535
Loa Loa (eye worm) RNA binding protein 0.0063 0.0535 0.0956
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0401 0.4976 0.9172
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0281 0.0485
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0388 0.3093
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0045 0.0296 0.0545
Loa Loa (eye worm) hypothetical protein 0.0031 0.0115 0.0179
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0115 0.0179
Loa Loa (eye worm) glutamate receptor 2 0.004 0.0229 0.0389
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0388 0.3093
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0295 0.0295
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0281 0.1898
Schistosoma mansoni hypothetical protein 0.0031 0.0115 0.0213
Onchocerca volvulus Cathepsin F homolog 0.0052 0.0388 0.0683
Loa Loa (eye worm) hypothetical protein 0.0043 0.0281 0.0485
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0281 0.0319
Brugia malayi cathepsin B-like cysteine proteinase 0.0282 0.342 0.6293
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0045 0.0296 0.0545
Onchocerca volvulus 0.0037 0.0199 0.0334
Brugia malayi Trypsin family protein 0.0045 0.0296 0.0513
Schistosoma mansoni cathepsin F (C01 family) 0.0037 0.0199 0.0367
Trypanosoma cruzi oligopeptidase b 0.019 0.2207 0.3944
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0071 0.0643 0.5952
Schistosoma mansoni hypothetical protein 0.0168 0.1918 0.3536
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0036 0.0184 0.0306
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0031 0.0111 0.0205
Echinococcus granulosus nmda type glutamate receptor 0.0089 0.0877 0.1617
Trypanosoma cruzi prolyl endopeptidase 0.0435 0.5424 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0281 0.0518
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0051 0.0376 0.0376
Echinococcus granulosus cathepsin b 0.0282 0.342 0.6305
Loa Loa (eye worm) hypothetical protein 0.0067 0.0586 0.105
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0295 0.0295
Echinococcus granulosus GPCR family 2 0.0031 0.0115 0.0213
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0099 0.1004 0.1681
Echinococcus multilocularis cysteine protease 0.0052 0.0388 0.0388
Entamoeba histolytica cysteine proteinase, putative 0.0031 0.0111 0.1485
Loa Loa (eye worm) hypothetical protein 0.0092 0.0919 0.1666
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0281 0.1198
Loa Loa (eye worm) hypothetical protein 0.0043 0.0281 0.0485
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0281 0.0518
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0535 0.0987
Schistosoma mansoni glutamate receptor kainate 0.004 0.0229 0.0422
Leishmania major cathepsin L-like protease 0.0052 0.0388 0.0683
Schistosoma mansoni glutamate receptor AMPA 0.004 0.0229 0.0422
Brugia malayi Glutamate receptor 1 precursor 0.004 0.0229 0.0389
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0282 0.342 0.6305
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0388 0.052
Entamoeba histolytica cysteine protease, putative 0.0031 0.0111 0.1485
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0052 0.0388 0.0388
Entamoeba histolytica cysteine protease, putative 0.0052 0.0388 0.591
Onchocerca volvulus 0.0045 0.0296 0.0513
Loa Loa (eye worm) hypothetical protein 0.0057 0.0453 0.0803
Brugia malayi prolyl oligopeptidase family protein 0.0071 0.0643 0.1155
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0281 0.3189
Onchocerca volvulus 0.0052 0.0388 0.0683
Schistosoma mansoni hypothetical protein 0.0031 0.0115 0.0213
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0401 0.4976 0.9175
Loa Loa (eye worm) prolyl oligopeptidase 0.0071 0.0643 0.1155
Loa Loa (eye worm) hypothetical protein 0.0037 0.0199 0.0334
Loa Loa (eye worm) hypothetical protein 0.0282 0.342 0.6293
Schistosoma mansoni cercarial elastase (S01 family) 0.0045 0.0296 0.0545
Schistosoma mansoni metabotropic glutamate receptor 0.0027 0.0063 0.0117
Trypanosoma brucei prolyl oligopeptidase, putative 0.019 0.2207 0.3944
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0282 0.342 0.6305
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.019 0.2207 0.3944
Onchocerca volvulus 0.0045 0.0296 0.0513
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.0078 0.0737 0.133
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0295 0.0545
Entamoeba histolytica cysteine proteinase, putative 0.0052 0.0388 0.591
Entamoeba histolytica prolyl oligopeptidase family protein 0.0071 0.0643 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0031 0.0111 0.0205
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0295 0.0545
Brugia malayi prolyl oligopeptidase family protein 0.0435 0.5424 1
Entamoeba histolytica cysteine proteinase, putative 0.0031 0.0111 0.1485
Schistosoma mansoni hypothetical protein 0.0031 0.0115 0.0213
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0357 0.4622
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0535 0.0956
Loa Loa (eye worm) hypothetical protein 0.0435 0.5424 1
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0643 0.1001
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0045 0.0296 0.0545
Schistosoma mansoni cercarial elastase (S01 family) 0.0045 0.0296 0.0545
Echinococcus multilocularis nmda type glutamate receptor 0.0089 0.0877 0.0877
Leishmania major cathepsin L-like protease 0.0052 0.0388 0.0683
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0388 0.3093
Brugia malayi prolyl oligopeptidase family protein 0.0163 0.1852 0.3392
Trypanosoma cruzi cysteine peptidase, putative 0.0052 0.0388 0.052
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0045 0.0296 0.0296
Echinococcus multilocularis glutamate receptor NMDA 0.0078 0.073 0.073
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0281 0.1898
Trypanosoma cruzi oligopeptidase b 0.019 0.2207 0.3944
Loa Loa (eye worm) hypothetical protein 0.0045 0.0296 0.0513
Leishmania major oligopeptidase b 0.019 0.2207 0.4048
Trichomonas vaginalis esterase, putative 0.0043 0.0281 0.1898
Brugia malayi Trypsin-like protease protein 5 0.0045 0.0296 0.0513
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0388 0.3093
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0052 0.0388 0.0683
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0115 0.0115
Trypanosoma cruzi cysteine peptidase, putative 0.0052 0.0388 0.052
Echinococcus granulosus transmembrane protease serine 3 0.0045 0.0296 0.0545
Echinococcus multilocularis cathepsin L 0.0031 0.0111 0.0111
Echinococcus multilocularis nmda type glutamate receptor 0.0092 0.0922 0.0922
Entamoeba histolytica cysteine protease, putative 0.0031 0.0111 0.1485
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0357 0.0463
Echinococcus granulosus acylamino acid releasing enzyme 0.0071 0.0643 0.1185
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0281 0.0586
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0045 0.0296 0.0545
Brugia malayi hypothetical protein 0.0032 0.0128 0.0202
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0199 0.0984
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0051 0.0376 0.0376
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0281 0.0586
Trypanosoma cruzi squalene synthase, putative 0.0251 0.3007 0.545
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0051 0.0376 0.0694
Echinococcus granulosus cathepsin l1 0.0037 0.0199 0.0367
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0282 0.342 0.6228
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0643 0.1001
Leishmania major hypothetical protein, conserved 0.0043 0.0281 0.0485
Schistosoma mansoni cercarial elastase (S01 family) 0.0045 0.0296 0.0545
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0388 0.3093
Loa Loa (eye worm) hypothetical protein 0.0043 0.0281 0.0485
Entamoeba histolytica cysteine proteinase, putative 0.0037 0.0199 0.2893
Entamoeba histolytica cysteine protease, putative 0.0031 0.0111 0.1485
Entamoeba histolytica cysteine proteinase, putative 0.0031 0.0111 0.1485
Schistosoma mansoni cercarial elastase (S01 family) 0.0045 0.0296 0.0545
Loa Loa (eye worm) cysteine protease 0.0052 0.0388 0.0683
Schistosoma mansoni hypothetical protein 0.0078 0.0737 0.1359
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0281 0.0586
Echinococcus multilocularis cathepsin L cysteine protease 0.0052 0.0388 0.0388
Echinococcus granulosus tar DNA binding protein 0.0063 0.0535 0.0987
Mycobacterium tuberculosis Conserved protein 0.0043 0.0281 0.0586
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0388 0.3093
Trypanosoma cruzi cruzipain precursor, putative 0.0052 0.0388 0.052
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.0357 0.4622
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0281 0.1898
Brugia malayi Glutamate receptor 2 precursor 0.004 0.0229 0.0389
Echinococcus granulosus cathepsin l1 0.0052 0.0388 0.0714
Onchocerca volvulus Cathepsin L homolog 0.0052 0.0388 0.0683
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0045 0.0296 0.0545
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0071 0.0643 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0052 0.0388 0.3093
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0364 0.449 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0163 0.1852 0.3277
Echinococcus granulosus glutamate receptor 2 0.0036 0.0184 0.034
Onchocerca volvulus 0.0043 0.0281 0.0485
Echinococcus granulosus Mastin 0.0045 0.0296 0.0545
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0388 0.3093
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0388 0.052
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0163 0.1852 0.3056
Leishmania major squalene synthase, putative 0.0251 0.3007 0.5528
Giardia lamblia Cathepsin B precursor 0.0099 0.1004 1
Brugia malayi beta-lactamase family protein 0.0043 0.0281 0.0485
Echinococcus multilocularis Squalene phytoene synthase 0.0078 0.0737 0.0737
Entamoeba histolytica cysteine protease, putative 0.0031 0.0111 0.1485
Loa Loa (eye worm) hypothetical protein 0.0045 0.0296 0.0513
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0388 0.052
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0388 0.3093
Toxoplasma gondii prolyl endopeptidase 0.0435 0.5424 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0163 0.1852 0.3415
Brugia malayi RNA binding protein 0.0063 0.0535 0.0956
Leishmania major cathepsin L-like protease 0.0052 0.0388 0.0683
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0051 0.0376 0.0694
Echinococcus granulosus metabotropic glutamate receptor 5 0.0057 0.0453 0.0835
Echinococcus multilocularis glutamate receptor 2 0.004 0.0229 0.0229
Brugia malayi MH2 domain containing protein 0.0115 0.1225 0.2231
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0282 0.342 0.6305
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0052 0.0388 0.0388
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0045 0.0296 0.0545
Loa Loa (eye worm) hypothetical protein 0.0071 0.0643 0.1155
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0281 0.1898
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0388 0.3093
Echinococcus granulosus prolyl endopeptidase 0.0435 0.5424 1
Loa Loa (eye worm) fibroinase 0.0052 0.0388 0.0683
Loa Loa (eye worm) hypothetical protein 0.0043 0.0281 0.0485
Mycobacterium tuberculosis Conserved protein 0.0043 0.0281 0.0586
Echinococcus multilocularis glutamate receptor 2 0.0051 0.0376 0.0376
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0388 0.3093
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0388 0.3093
Mycobacterium ulcerans beta-lactamase 0.0043 0.0281 0.1198
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0163 0.1852 0.3392
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0388 0.052
Echinococcus multilocularis Mastin 0.0045 0.0296 0.0296
Brugia malayi Cathepsin L-like precursor 0.0052 0.0388 0.0683
Brugia malayi beta-lactamase 0.0043 0.0281 0.0485
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0045 0.0296 0.0545
Schistosoma mansoni hypothetical protein 0.0045 0.0296 0.0545
Onchocerca volvulus Prolyl endopeptidase homolog 0.0435 0.5424 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0535 0.0956
Schistosoma mansoni hypothetical protein 0.0031 0.0115 0.0213
Echinococcus granulosus Squalene phytoene synthase 0.0078 0.0737 0.1359
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0388 0.3093
Echinococcus granulosus metabotropic glutamate receptor 2 0.0041 0.0247 0.0455
Echinococcus multilocularis geminin 0.0168 0.1918 0.1918
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0094 0.0943 0.0943
Brugia malayi Cathepsin L-like precursor 0.0037 0.0199 0.0334
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0051 0.0376 0.0376
Giardia lamblia Cathepsin B precursor 0.0099 0.1004 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0401 0.4976 0.9175
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0388 0.052
Echinococcus multilocularis cysteine protease 0.0052 0.0388 0.0388
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0115 0.0179
Echinococcus granulosus cathepsin L cysteine proteinase 0.0052 0.0388 0.0714
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0388 0.052
Brugia malayi hypothetical protein 0.0049 0.0357 0.0626
Onchocerca volvulus 0.0043 0.0281 0.0485
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0057 0.0453 0.0453
Schistosoma mansoni hypothetical protein 0.0045 0.0296 0.0545
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.1225 0.2231
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0295 0.0512
Mycobacterium leprae Probable lipase LipE 0.0043 0.0281 0.1198
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0435 0.5424 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.0992 0.1801
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0037 0.0199 0.0165
Plasmodium vivax hypothetical protein, conserved 0.0071 0.0643 1
Entamoeba histolytica cysteine protease, putative 0.0031 0.0111 0.1485
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0045 0.0296 0.0545
Echinococcus multilocularis GPCR, family 2 0.0031 0.0115 0.0115
Schistosoma mansoni cercarial elastase (S01 family) 0.0045 0.0296 0.0545
Echinococcus granulosus Dipeptidyl peptidase 9 0.0163 0.1852 0.3415
Plasmodium falciparum cysteine proteinase falcipain 3 0.0052 0.0388 0.5196
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.0078 0.0737 0.1607
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0281 0.0586
Entamoeba histolytica cysteine protease, putative 0.0031 0.0111 0.1485
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0281 0.1198
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0388 0.052
Echinococcus multilocularis cathepsin b 0.0282 0.342 0.342
Entamoeba histolytica cysteine protease, putative 0.0031 0.0111 0.1485
Echinococcus multilocularis cathepsin b 0.0282 0.342 0.342
Schistosoma mansoni glutamate receptor NMDA 0.0094 0.0943 0.1738
Onchocerca volvulus 0.0052 0.0388 0.0683
Brugia malayi hypothetical protein 0.0045 0.0296 0.0513
Leishmania major cathepsin L-like protease 0.0052 0.0388 0.0683
Loa Loa (eye worm) hypothetical protein 0.0078 0.0737 0.133
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0401 0.4976 0.4976
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0388 0.3093
Echinococcus granulosus geminin 0.0168 0.1918 0.3536
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.0357 0.0148
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0281 0.0319
Giardia lamblia Cathepsin B precursor 0.0099 0.1004 1
Entamoeba histolytica cysteine protease, putative 0.0031 0.0111 0.1485
Onchocerca volvulus Cathepsin L homolog 0.0052 0.0388 0.0683
Schistosoma mansoni cercarial elastase (S01 family) 0.0045 0.0296 0.0545
Entamoeba histolytica prolyl oligopeptidase family protein 0.0071 0.0643 1
Brugia malayi Cathepsin L-like precursor 0.0037 0.0199 0.0334
Echinococcus multilocularis enteropeptidase 0.0045 0.0296 0.0296
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0535 0.0987
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0295 0.0545
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0051 0.0376 0.0694
Loa Loa (eye worm) ctsf protein 0.0052 0.0388 0.0683
Trypanosoma brucei cysteine peptidase C (CPC) 0.0099 0.1004 0.1681
Brugia malayi Cathepsin L-like precursor 0.0052 0.0388 0.0683
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0388 0.3093
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0071 0.0643 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0045 0.0296 0.0545
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0041 0.0247 0.0247
Onchocerca volvulus 0.0052 0.0388 0.0683
Loa Loa (eye worm) prolyl oligopeptidase 0.0401 0.4976 0.9172
Echinococcus multilocularis cathepsin L cysteine protease 0.0052 0.0388 0.0388
Schistosoma mansoni ATP-binding cassette transporter 0.004 0.0229 0.0422
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0535 0.0987
Schistosoma mansoni glutamate receptor NMDA 0.0128 0.1396 0.2574
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0045 0.0305 0.0562
Loa Loa (eye worm) hypothetical protein 0.0049 0.0357 0.0626
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0052 0.0388 0.0683
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0643 0.5952
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0388 0.052
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0071 0.0643 0.1185
Echinococcus granulosus nmda type glutamate receptor 0.0092 0.0922 0.1699
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0281 0.1198
Leishmania major cathepsin L-like protease 0.0052 0.0388 0.0683
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0163 0.1852 0.3277
Mycobacterium ulcerans phytoene synthase, CrtB 0.0078 0.0737 0.3285
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0388 0.052
Onchocerca volvulus 0.0045 0.0296 0.0513
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0115 0.0115
Schistosoma mansoni hypothetical protein 0.0168 0.1918 0.3536
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0435 0.5424 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0031 0.0111 0.0205
Entamoeba histolytica cysteine protease, putative 0.0031 0.0111 0.1485
Loa Loa (eye worm) hypothetical protein 0.0045 0.0296 0.0513
Mycobacterium tuberculosis Probable peptidase 0.019 0.2207 0.4893
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0045 0.0296 0.0545
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.019 0.2207 0.4048
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0199 0.0984
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0435 0.5424 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0281 0.0281
Brugia malayi Trypsin family protein 0.0045 0.0296 0.0513
Toxoplasma gondii cathepsin CPL 0.0052 0.0388 0.0208
Brugia malayi hypothetical protein 0.0092 0.0919 0.1666
Trypanosoma brucei prolyl endopeptidase 0.0435 0.5424 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0992 0.1801
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0388 0.3093
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0115 0.0179
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0388 0.3093
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0051 0.0376 0.0694
Echinococcus granulosus glutamate receptor 2 0.0051 0.0376 0.0694
Echinococcus multilocularis glycoprotein Antigen 5 0.0045 0.0296 0.0296
Schistosoma mansoni glutamate receptor AMPA 0.004 0.0229 0.0422
Loa Loa (eye worm) hypothetical protein 0.0052 0.0388 0.0683
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0052 0.0388 0.3093
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0535 0.0987
Leishmania major cathepsin L-like protease 0.0052 0.0388 0.0683
Echinococcus multilocularis transmembrane protease serine 3 0.0045 0.0296 0.0296
Loa Loa (eye worm) hypothetical protein 0.0037 0.0199 0.0334
Echinococcus granulosus cathepsin L 0.0031 0.0111 0.0205
Brugia malayi metabotropic glutamate receptor type 2 0.0027 0.0063 0.0083
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0535 0.0956
Brugia malayi Metabotropic glutamate receptor precursor. 0.0047 0.0332 0.0579
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0281 0.0319
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0282 0.342 0.6305
Leishmania major cathepsin L-like protease 0.0052 0.0388 0.0683
Brugia malayi Cathepsin L-like precursor 0.0052 0.0388 0.0683
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0388 0.3093
Brugia malayi Papain family cysteine protease containing protein 0.0031 0.0111 0.0172
Schistosoma mansoni hypothetical protein 0.0067 0.0586 0.1081
Schistosoma mansoni cathepsin F (C01 family) 0.0052 0.0388 0.0714
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0281 0.0518
Echinococcus granulosus cathepsin b 0.0282 0.342 0.6305
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0295 0.0545
Loa Loa (eye worm) glutamate receptor 1 0.004 0.0229 0.0389
Plasmodium vivax vivapain-2 0.0052 0.0388 0.5196
Echinococcus granulosus glutamate NMDA receptor subunit 0.0094 0.0943 0.1738
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0163 0.1852 0.3277
Entamoeba histolytica cysteine protease, putative 0.0031 0.0111 0.1485
Echinococcus granulosus cysteine protease 0.0031 0.0111 0.0205
Brugia malayi Cathepsin L-like cysteine proteinase 0.0037 0.0199 0.0334
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0071 0.0643 0.1001
Plasmodium falciparum peptidase, putative 0.0071 0.0643 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0295 0.0545
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0052 0.0388 0.5196
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0281 0.0485
Onchocerca volvulus 0.0043 0.0281 0.0485
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0051 0.0376 0.0376
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0071 0.0643 0.0704
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0992 0.1801
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0388 0.052
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0281 0.1898
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0045 0.0296 0.0545
Toxoplasma gondii cathepsin B 0.0099 0.1004 0.1407
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0357 0.0463
Loa Loa (eye worm) hypothetical protein 0.0043 0.0281 0.0485
Onchocerca volvulus 0.0045 0.0296 0.0513
Brugia malayi Papain family cysteine protease containing protein 0.0052 0.0388 0.0683
Trypanosoma cruzi cysteine peptidase, putative 0.0052 0.0388 0.052
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3358 0.7469
Mycobacterium ulcerans hypothetical protein 0.0045 0.0296 0.1267
Schistosoma mansoni cercarial elastase (S01 family) 0.0045 0.0296 0.0545
Onchocerca volvulus 0.0052 0.0388 0.0683
Leishmania major hypothetical protein, conserved 0.0078 0.0737 0.133
Trypanosoma brucei oligopeptidase b 0.019 0.2207 0.3944
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0388 0.3093
Loa Loa (eye worm) trypsin family protein 0.0045 0.0296 0.0513
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.019 0.2207 0.4893
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0163 0.1852 0.1852
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0099 0.1004 0.1824
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.019 0.2207 1
Trypanosoma cruzi phytoene synthase, putative 0.0078 0.0737 0.1178
Onchocerca volvulus 0.0052 0.0388 0.0683
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.1225 0.2231
Loa Loa (eye worm) hypothetical protein 0.0045 0.0296 0.0513
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0071 0.0643 0.1185
Loa Loa (eye worm) cathepsin B 0.0099 0.1004 0.1824
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0281 0.0586
Echinococcus granulosus glutamate receptor NMDA 0.0078 0.073 0.1345
Leishmania major cysteine peptidase A (CPA) 0.0052 0.0388 0.0683
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0388 0.3093
Loa Loa (eye worm) beta-lactamase 0.0043 0.0281 0.0485
Loa Loa (eye worm) hypothetical protein 0.0045 0.0296 0.0513
Brugia malayi Cathepsin L-like precursor 0.0052 0.0388 0.0683
Plasmodium vivax vivapain-2 0.0052 0.0388 0.5196
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0388 0.3093
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0115 0.0213
Onchocerca volvulus 0.0052 0.0388 0.0683
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0535 0.0987
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0586 0.105
Schistosoma mansoni cercarial elastase (S01 family) 0.0045 0.0296 0.0545
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0052 0.0388 0.5196
Onchocerca volvulus 0.0045 0.0296 0.0513
Loa Loa (eye worm) hypothetical protein 0.0037 0.0199 0.0334
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0071 0.0643 0.5952
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0281 0.0586
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.019 0.2207 1
Entamoeba histolytica cysteine protease, putative 0.0031 0.0111 0.1485
Entamoeba histolytica prolyl oligopeptidase family protein 0.0071 0.0643 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0099 0.1004 0.1852
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0163 0.1852 0.3277
Brugia malayi prolyl oligopeptidase family protein 0.0401 0.4976 0.9172
Trypanosoma cruzi squalene synthase, putative 0.0251 0.3007 0.545

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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

No literature references available for this target.

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