Detailed information for compound 521826

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 456.968 | Formula: C22H23ClN5O2S-
  • H donors: 3 H acceptors: 3 LogP: 3.86 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1C)C)CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N.[Cl-]
  • InChi: 1S/C22H23N5O2S.ClH/c1-13-6-5-9-18(14(13)2)25-20(28)12-30-22-27-26-21(29-22)17(23)10-15-11-24-19-8-4-3-7-16(15)19;/h3-9,11,17,24H,10,12,23H2,1-2H3,(H,25,28);1H/p-1/t17-;/m0./s1
  • InChiKey: BMMRHWOSSJELQZ-LMOVPXPDSA-M  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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 Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0178 0.0178
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0242 0.1902 1
Brugia malayi Cathepsin L-like precursor 0.0047 0.02 0.02
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0115 0.0793 0.0761
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 0.02 0.02
Brugia malayi hypothetical protein 0.0271 0.2157 0.2157
Leishmania major cathepsin L-like protease 0.0104 0.0696 0.3447
Loa Loa (eye worm) hypothetical protein 0.0271 0.2157 0.2676
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0101 0.0673 0.0673
Trypanosoma cruzi cruzipain precursor, putative 0.0104 0.0696 0.3661
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.4667 0.4667
Brugia malayi Cathepsin L-like cysteine proteinase 0.0032 0.0064 0.0064
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0242 0.1902 1
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0178 0.0178
Giardia lamblia UPL-1 0.0242 0.1902 0.1756
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0242 0.1902 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0104 0.0696 0.3661
Entamoeba histolytica hypothetical protein 0.0043 0.0167 0.0879
Onchocerca volvulus Cathepsin L homolog 0.0047 0.02 0.0137
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 0.02 0.02
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0059 0.03 0.0224
Loa Loa (eye worm) hypothetical protein 0.0036 0.0103 0.005
Onchocerca volvulus 0.0047 0.02 0.0137
Trypanosoma brucei glucose transporter 2A 0.0031 0.0062 0.0327
Schistosoma mansoni purine nucleoside phosphorylase 0.1169 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 0.02 0.02
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0101 0.0673 0.0673
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 0.02 0.02
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0242 0.1902 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0271 0.0271
Schistosoma mansoni hypothetical protein 0.0205 0.1576 0.1576
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.4667 0.4667
Echinococcus multilocularis purine nucleoside phosphorylase 0.1169 1 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0484 0.0484
Loa Loa (eye worm) cysteine protease 0.0047 0.02 0.0174
Echinococcus multilocularis uridine phosphorylase 1 0.0242 0.1902 0.1902
Echinococcus multilocularis purine nucleoside phosphorylase 0.0927 0.7885 0.7885
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0484 0.2545
Brugia malayi Cathepsin L-like precursor 0.0047 0.02 0.02
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0242 0.1902 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 0.02 0.02
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0242 0.1902 0.1902
Schistosoma mansoni purine nucleoside phosphorylase 0.1169 1 1
Brugia malayi Cathepsin L-like precursor 0.0047 0.02 0.02
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0047 0.02 0.0174
Schistosoma mansoni hypothetical protein 0.0101 0.0673 0.0673
Onchocerca volvulus Cathepsin L homolog 0.0047 0.02 0.0137
Trypanosoma brucei glucose transporter, putative 0.0031 0.0062 0.0327
Echinococcus granulosus purine nucleoside phosphorylase 0.1169 1 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0031 0.0062 0.0327
Entamoeba histolytica hypothetical protein 0.0043 0.0167 0.0879
Trypanosoma brucei glucose transporter 1E 0.0031 0.0062 0.0327
Echinococcus multilocularis geminin 0.0205 0.1576 0.1576
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0104 0.0696 0.3661
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0242 0.1902 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0484 0.0538
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0082 0.0503 0.047
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0178 0.0178
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0047 0.02 0.02
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.1169 1 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0103 0.054
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.0673 0.0673
Onchocerca volvulus 0.0286 0.2287 0.2238
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0104 0.0696 0.3661
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.0984 0.1176
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0167 0.0167
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 0.02 0.02
Plasmodium vivax vivapain-2 0.0047 0.02 0.1051
Onchocerca volvulus 0.0036 0.0103 0.0039
Brugia malayi Papain family cysteine protease containing protein 0.0047 0.02 0.02
Schistosoma mansoni glucose transport protein 0.0101 0.0673 0.0673
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.0673 0.0673
Brugia malayi Pre-SET motif family protein 0.0036 0.0103 0.0103
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.0984 0.1176
Trypanosoma brucei THT1 - hexose transporter, putative 0.0031 0.0062 0.0327
Onchocerca volvulus 0.0047 0.02 0.0137
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0062 0.0062
Entamoeba histolytica cysteine proteinase, putative 0.0047 0.02 0.1051
Echinococcus granulosus purine nucleoside phosphorylase 0.1169 1 1
Trypanosoma brucei glucose transporter, putative 0.0031 0.0062 0.0327
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 0.02 0.02
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0192 0.0192
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.1169 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0047 0.02 0.02
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0104 0.0696 0.3661
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0191 0.0191
Echinococcus granulosus neuropeptide s receptor 0.0558 0.4667 0.4667
Onchocerca volvulus 0.0047 0.02 0.0137
Onchocerca volvulus 0.0047 0.02 0.0137
Echinococcus granulosus cathepsin L cysteine proteinase 0.0047 0.02 0.02
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0178 0.0178
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0062 0.0062
Echinococcus multilocularis survival motor neuron protein 1 0.0271 0.2157 0.2157
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 0.02 0.02
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0104 0.0696 0.3661
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0051 0.0237 0.0204
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0032 0.0064 0.0064
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0191 0.0191
Leishmania major cathepsin L-like protease 0.0104 0.0696 0.3447
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0242 0.1902 0.1902
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0103 0.0103
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0242 0.1902 0.1874
Plasmodium falciparum hexose transporter 0.0101 0.0673 0.3537
Echinococcus multilocularis purine nucleoside phosphorylase 0.0927 0.7885 0.7885
Loa Loa (eye worm) hypothetical protein 0.0045 0.0178 0.0146
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0059 0.03 0.0267
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0047 0.02 0.02
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0178 0.0178
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0242 0.1902 0.1902
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0104 0.0696 0.3661
Echinococcus granulosus methylthioadenosine phosphorylase 0.0242 0.1902 0.1902
Echinococcus granulosus cathepsin l cysteine peptidase 0.0047 0.02 0.02
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0484 0.2294
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0192 0.0164
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0242 0.1902 1
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0242 0.1902 1
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.1169 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0047 0.02 0.02
Plasmodium vivax vivapain-2 0.0047 0.02 0.1051
Entamoeba histolytica hypothetical protein 0.0242 0.1902 1
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.1169 1 1
Mycobacterium ulcerans purine nucleoside phosphorylase 0.1169 1 1
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0242 0.1902 0.2351
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0178 0.0935
Trypanosoma cruzi major cysteine proteinase, putative 0.0066 0.036 0.1894
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0103 0.0103
Treponema pallidum pfs protein (pfs) 0.0242 0.1902 1
Echinococcus granulosus General substrate transporter 0.0087 0.0548 0.0548
Echinococcus multilocularis cysteine protease 0.0047 0.02 0.02
Treponema pallidum hypothetical protein 0.0028 0.0034 0.0031
Loa Loa (eye worm) sugar transporter 0.0101 0.0673 0.0779
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0174 0.1305 0.1305
Onchocerca volvulus 0.0047 0.02 0.0137
Echinococcus granulosus purine nucleoside phosphorylase 0.1169 1 1
Leishmania major cathepsin L-like protease 0.0047 0.02 0.0749
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0088 0.056 0.2944
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0242 0.1902 0.1902
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0178 0.0629
Onchocerca volvulus 0.0055 0.0271 0.0209
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 0.02 0.02
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0242 0.1902 0.1902
Toxoplasma gondii facilitative glucose transporter GT1 0.0101 0.0673 0.3168
Onchocerca volvulus 0.0047 0.02 0.0137
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 0.02 0.02
Trypanosoma brucei glucose transporter, putative 0.0031 0.0062 0.0327
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0242 0.1902 0.1874
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0192 0.0192
Brugia malayi hypothetical protein 0.0043 0.0167 0.0167
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0059 0.03 0.0267
Echinococcus granulosus survival motor neuron protein 1 0.0271 0.2157 0.2157
Schistosoma mansoni cathepsin F (C01 family) 0.0047 0.02 0.02
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0103 0.0103
Echinococcus granulosus geminin 0.0205 0.1576 0.1576
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.0673 0.0673
Toxoplasma gondii phosphorylase family protein 0.0242 0.1902 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0192 0.0192
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0047 0.02 0.02
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0192 0.0192
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0062 0.0327
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0242 0.1902 0.1839
Onchocerca volvulus Huntingtin homolog 0.0148 0.108 0.1023
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0082 0.0503 0.0429
Brugia malayi MTAP 0.0242 0.1902 0.1902
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0242 0.1902 1
Schistosoma mansoni hypothetical protein 0.0205 0.1576 0.1576
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0178 0.0178
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0178 0.0935
Plasmodium falciparum purine nucleoside phosphorylase 0.0242 0.1902 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0047 0.02 0.02
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0242 0.1902 0.1756
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0062 0.0062
Entamoeba histolytica cysteine protease, putative 0.0047 0.02 0.1051
Echinococcus multilocularis purine nucleoside phosphorylase 0.1169 1 1
Treponema pallidum uridine phosphorylase (udp) 0.0242 0.1902 1
Trypanosoma brucei glucose transporter, putative 0.0031 0.0062 0.0327
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0167 0.0167
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0104 0.0696 0.3661
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.4667 0.4667
Trypanosoma cruzi hexose transporter 0.0031 0.0062 0.0327
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0178 0.0178
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0047 0.02 0.1051
Entamoeba histolytica cysteine proteinase, putative 0.0032 0.0064 0.0334
Echinococcus multilocularis cysteine protease 0.0047 0.02 0.02
Echinococcus granulosus purine nucleoside phosphorylase 0.1169 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.1169 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.1169 1 1
Toxoplasma gondii Purine nucleoside phosphorylase 0.0242 0.1902 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0484 0.2545
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 0.02 0.02
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0101 0.0673 0.0673
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.0673 0.0673
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0178 0.0935
Schistosoma mansoni methylthioadenosine phosphorylase 0.0242 0.1902 0.1902
Echinococcus granulosus purine nucleoside phosphorylase 0.1169 1 1
Schistosoma mansoni survival motor neuron protein 0.0055 0.0271 0.0271
Entamoeba histolytica hypothetical protein 0.0043 0.0167 0.0879
Schistosoma mansoni hypothetical protein 0.0043 0.0167 0.0167
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0242 0.1902 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0242 0.1902 0.1839
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0484 0.0484
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0091 0.0091
Brugia malayi Cathepsin L-like precursor 0.0047 0.02 0.02
Brugia malayi hypothetical protein 0.0148 0.108 0.108
Schistosoma mansoni uridine phosphorylase 0.0242 0.1902 0.1902
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0047 0.02 0.02
Onchocerca volvulus Huntingtin homolog 0.0148 0.108 0.1023
Trypanosoma brucei glucose transporter, putative 0.0031 0.0062 0.0327
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0047 0.02 0.0174
Loa Loa (eye worm) hypothetical protein 0.0927 0.7885 1
Entamoeba histolytica cysteine proteinase, putative 0.0047 0.02 0.1051
Loa Loa (eye worm) uridine phosphorylase 0.0242 0.1902 0.2351
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0192 0.0192
Brugia malayi uridine phosphorylase family protein 0.0242 0.1902 0.1902
Schistosoma mansoni cathepsin F (C01 family) 0.0032 0.0064 0.0064
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0082 0.0503 0.047
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0178 0.0178
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0178 0.0935
Schistosoma mansoni hypothetical protein 0.0055 0.0271 0.0271
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0192 0.0192
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2287 0.2287
Loa Loa (eye worm) fibroinase 0.0047 0.02 0.0174
Loa Loa (eye worm) hypothetical protein 0.0047 0.02 0.0174
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0484 0.2545
Onchocerca volvulus Cathepsin F homolog 0.0047 0.02 0.0137
Schistosoma mansoni methylthioadenosine phosphorylase 0.0242 0.1902 0.1902
Brugia malayi Cathepsin L-like precursor 0.0047 0.02 0.02
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0062 0.0062
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0178 0.0178
Trichomonas vaginalis glucose transporter, putative 0.0031 0.0062 0.0062
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0104 0.0696 0.3661
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0062 0.0327
Trypanosoma cruzi cysteine peptidase, putative 0.0104 0.0696 0.3661
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.1902 0.1902
Plasmodium falciparum cysteine proteinase falcipain 3 0.0047 0.02 0.1051
Brugia malayi Pre-SET motif family protein 0.0251 0.1984 0.1984
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 0.02 0.02
Brugia malayi Cathepsin L-like precursor 0.0032 0.0064 0.0064
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0104 0.0696 0.3661
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0103 0.0103
Trichomonas vaginalis aldehyde oxidase, putative 0.0174 0.1305 0.1305
Leishmania major cathepsin L-like protease 0.0047 0.02 0.0749
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0242 0.1902 1
Trichomonas vaginalis glucose transporter, putative 0.0031 0.0062 0.0062
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0242 0.1902 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0033 0.0077 0.0043
Trypanosoma cruzi cysteine peptidase, putative 0.0104 0.0696 0.3661
Echinococcus multilocularis General substrate transporter 0.0087 0.0548 0.0548
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 0.02 0.02
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0047 0.02 0.1051
Trypanosoma brucei THT1 - hexose transporter, putative 0.0031 0.0062 0.0327
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.1902 0.1902
Echinococcus multilocularis cathepsin L cysteine protease 0.0047 0.02 0.02
Schistosoma mansoni glucose transport protein 0.0101 0.0673 0.0673
Brugia malayi Sugar transporter family protein 0.0101 0.0673 0.0673
Leishmania major cathepsin L-like protease 0.0047 0.02 0.0749
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0927 0.7885 0.7885
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0047 0.02 0.02
Echinococcus granulosus cathepsin l1 0.0032 0.0064 0.0064
Leishmania major cysteine peptidase A (CPA) 0.0047 0.02 0.0749
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0484 0.2545
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0178 0.0178
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0192 0.0192
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0062 0.0327
Trypanosoma cruzi cysteine peptidase, putative 0.0047 0.02 0.1051
Loa Loa (eye worm) ctsf protein 0.0047 0.02 0.0174
Echinococcus granulosus purine nucleoside phosphorylase 0.1169 1 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.0673 0.0673
Brugia malayi MH2 domain containing protein 0.0137 0.0984 0.0984
Echinococcus granulosus purine nucleoside phosphorylase 0.1169 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0104 0.0696 0.3661
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0103 0.0103
Brugia malayi Cathepsin L-like precursor 0.0032 0.0064 0.0064
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0033 0.0077 0.0043
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0242 0.1902 0.1756
Trypanosoma brucei glucose transporter, putative 0.0031 0.0062 0.0327
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1984 0.2455
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0047 0.02 0.02
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0242 0.1902 0.1902
Schistosoma mansoni cathepsin F (C01 family) 0.0047 0.02 0.02
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0242 0.1902 1
Echinococcus granulosus purine nucleoside phosphorylase 0.1169 1 1
Onchocerca volvulus 0.0047 0.02 0.0137
Plasmodium vivax hexose transporter 0.0101 0.0673 0.3537
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0047 0.02 0.02
Schistosoma mansoni uridine phosphorylase 0.0242 0.1902 0.1902
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0242 0.1902 0.1902
Leishmania major nucleoside phosphorylase-like protein 0.0242 0.1902 1
Brugia malayi cathepsin L-like precursor 0.0032 0.0064 0.0064
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.1169 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 0.02 0.02
Trypanosoma brucei glucose transporter, putative 0.0031 0.0062 0.0327
Loa Loa (eye worm) hypothetical protein 0.0148 0.108 0.13
Leishmania major cathepsin L-like protease 0.0047 0.02 0.0749
Schistosoma mansoni glucose transport protein 0.0101 0.0673 0.0673
Leishmania major cathepsin L-like protease 0.0047 0.02 0.0749
Loa Loa (eye worm) hypothetical protein 0.0148 0.108 0.13
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0104 0.0696 0.3661
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0242 0.1902 0.1902
Entamoeba histolytica hypothetical protein 0.0043 0.0167 0.0879
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0192 0.0192
Trypanosoma cruzi cysteine peptidase, putative 0.0104 0.0696 0.3661
Mycobacterium tuberculosis Hypothetical protein 0.0242 0.1902 0.1839
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0103 0.0103
Leishmania major cathepsin L-like protease 0.0104 0.0696 0.3447
Schistosoma mansoni methylthioadenosine phosphorylase 0.0242 0.1902 0.1902
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0047 0.02 0.02
Echinococcus granulosus uridine phosphorylase 1 0.0242 0.1902 0.1902
Toxoplasma gondii cathepsin CPL 0.0047 0.02 0.054
Brugia malayi Cathepsin L-like precursor 0.0047 0.02 0.02
Toxoplasma gondii phosphorylase family protein 0.0242 0.1902 1
Echinococcus granulosus cathepsin l1 0.0047 0.02 0.02
Chlamydia trachomatis AMP nucleosidase 0.0242 0.1902 0.5
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0174 0.1305 0.1305
Leishmania major methylthioadenosine phosphorylase, putative 0.0242 0.1902 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.1169 1 1
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0242 0.1902 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0178 0.0178
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0178 0.0178
Trypanosoma brucei glucose transporter, putative 0.0031 0.0062 0.0327
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0047 0.02 0.02
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0484 0.0484
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0484 0.0484
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0062 0.0062
Trypanosoma brucei uridine phosphorylase 0.0242 0.1902 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.1169 1 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0101 0.0673 0.0673
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0167 0.0167
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0047 0.02 0.02
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0103 0.0103
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0032 0.0064 0.0064
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0047 0.02 0.02

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.3 uM Inhibition of cathepsin L (unknown origin) ChEMBL. 18060772

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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