Detailed information for compound 954629
Basic information
Technical information
- Name: Unnamed compound
- MW: 322.34 | Formula: C13H14N4O4S
-
H donors: 0
H acceptors: 5
LogP: 1.01
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: O=C1CCN(CC1)CCSc1ccc(c2c1non2)[N+](=O)[O-]
- InChi: 1S/C13H14N4O4S/c18-9-3-5-16(6-4-9)7-8-22-11-2-1-10(17(19)20)12-13(11)15-21-14-12/h1-2H,3-8H2
- InChiKey: WOUWWOVYUHXLPN-UHFFFAOYSA-N
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 | glutathione S-transferase pi 1 | Starlite/ChEMBL | References |
| Homo sapiens | glutathione S-transferase mu 2 (muscle) | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Plasmodium falciparum | glutathione S-transferase | glutathione S-transferase pi 1 | 210 aa | 200 aa | 26.5 % |
| Echinococcus granulosus | glutathione S transferase Mu 1 | glutathione S-transferase mu 2 (muscle) | 218 aa | 215 aa | 42.3 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Plasmodium falciparum | serine repeat antigen 7 | 0.0246 | 0.1405 | 0.1236 |
| Plasmodium falciparum | serine repeat antigen 3 | 0.0246 | 0.1405 | 0.1236 |
| Entamoeba histolytica | cysteine proteinase 2 | 0.0687 | 0.489 | 0.4054 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.1333 | 1 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.0893 | 0.6516 | 0.5971 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.1333 | 1 | 1 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.0687 | 0.489 | 0.4054 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0441 | 0.2945 | 0.1791 |
| Schistosoma mansoni | cathepsin s | 0.0441 | 0.2945 | 0.2805 |
| Giardia lamblia | Cathepsin L precursor | 0.0246 | 0.1405 | 0.5 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.1333 | 1 | 1 |
| Onchocerca volvulus | 0.1333 | 1 | 1 | |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.1333 | 1 | 1 |
| Giardia lamblia | Cysteine protease | 0.0246 | 0.1405 | 0.5 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.1333 | 1 | 1 |
| Leishmania major | cathepsin L-like protease | 0.1333 | 1 | 1 |
| Schistosoma mansoni | cathepsin S (C01 family) | 0.0246 | 0.1405 | 0.1236 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.1333 | 1 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.1333 | 1 | 1 |
| Echinococcus granulosus | cathepsin l1 | 0.0893 | 0.6516 | 0.6516 |
| Onchocerca volvulus | Cathepsin L homolog | 0.1333 | 1 | 1 |
| Leishmania major | cathepsin L-like protease | 0.1333 | 1 | 1 |
| Giardia lamblia | Hypothetical protein | 0.0246 | 0.1405 | 0.5 |
| Echinococcus multilocularis | glutathione s transferase mu | 0.0093 | 0.0193 | 0.0193 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0893 | 0.6516 | 0.5946 |
| Leishmania major | cathepsin L-like protease | 0.1333 | 1 | 1 |
| Onchocerca volvulus | 0.1333 | 1 | 1 | |
| Echinococcus granulosus | cathepsin b | 0.0246 | 0.1405 | 0.1405 |
| Loa Loa (eye worm) | hypothetical protein | 0.0441 | 0.2945 | 0.1842 |
| Plasmodium falciparum | cysteine proteinase falcipain 2a | 0.1333 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0893 | 0.6516 | 0.5971 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.1333 | 1 | 1 |
| Brugia malayi | Papain family cysteine protease containing protein | 0.0246 | 0.1405 | 0.0062 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.1405 | 0.0062 |
| Loa Loa (eye worm) | cysteine protease | 0.1333 | 1 | 1 |
| Onchocerca volvulus | 0.1333 | 1 | 1 | |
| Schistosoma mansoni | SmCL2-like peptidase (C01 family) | 0.0687 | 0.489 | 0.4789 |
| Echinococcus granulosus | glutathione s transferase mu | 0.0093 | 0.0193 | 0.0193 |
| Entamoeba histolytica | cysteine protease, putative | 0.0687 | 0.489 | 0.4054 |
| Leishmania major | cathepsin L-like protease | 0.1333 | 1 | 1 |
| Trypanosoma cruzi | cysteine peptidase, clan CA, family C1, cathepsin L-like, putative | 0.0893 | 0.6516 | 0.5946 |
| Giardia lamblia | Cathepsin B precursor | 0.0246 | 0.1405 | 0.5 |
| Echinococcus multilocularis | cysteine protease | 0.1333 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.1405 | 0.0062 |
| Entamoeba histolytica | cysteine protease, putative | 0.0687 | 0.489 | 0.4054 |
| Echinococcus multilocularis | glutathione S transferase | 0.0078 | 0.0079 | 0.0079 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.1333 | 1 | 1 |
| Loa Loa (eye worm) | papain family cysteine protease containing protein | 0.0246 | 0.1405 | 0.0062 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.1333 | 1 | 1 |
| Trypanosoma cruzi | cysteine proteinase, putative | 0.0687 | 0.489 | 0.4054 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.1405 | 0.0062 |
| Loa Loa (eye worm) | hypothetical protein | 0.0893 | 0.6516 | 0.5971 |
| Giardia lamblia | Cathepsin B precursor | 0.0246 | 0.1405 | 0.5 |
| Schistosoma mansoni | SmCL2-like peptidase (C01 family) | 0.0687 | 0.489 | 0.4789 |
| Entamoeba histolytica | cysteine protease, putative | 0.0687 | 0.489 | 0.4054 |
| Giardia lamblia | Cysteine protease | 0.0246 | 0.1405 | 0.5 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.0893 | 0.6516 | 0.6447 |
| Brugia malayi | Cathepsin L-like precursor | 0.1333 | 1 | 1 |
| Giardia lamblia | Cysteine protease | 0.0246 | 0.1405 | 0.5 |
| Brugia malayi | Papain family cysteine protease containing protein | 0.1333 | 1 | 1 |
| Giardia lamblia | Cathepsin B precursor | 0.0246 | 0.1405 | 0.5 |
| Schistosoma mansoni | subfamily C1A non-peptidase homologue (C01 family) | 0.0246 | 0.1405 | 0.1236 |
| Leishmania major | cathepsin L-like protease | 0.1333 | 1 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.1333 | 1 | 1 |
| Entamoeba histolytica | cysteine protease, putative | 0.0687 | 0.489 | 0.4054 |
| Leishmania major | cathepsin L-like protease | 0.1333 | 1 | 1 |
| Loa Loa (eye worm) | ctsf protein | 0.1333 | 1 | 1 |
| Giardia lamblia | Cathepsin L precursor | 0.0246 | 0.1405 | 0.5 |
| Entamoeba histolytica | cysteine protease, putative | 0.0687 | 0.489 | 0.4054 |
| Giardia lamblia | Cathepsin L precursor | 0.0246 | 0.1405 | 0.5 |
| Brugia malayi | cathepsin Z-like cysteine proteinase | 0.0246 | 0.1405 | 0.0062 |
| Plasmodium falciparum | serine repeat antigen 6 | 0.0246 | 0.1405 | 0.1236 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.1333 | 1 | 1 |
| Onchocerca volvulus | 0.0893 | 0.6516 | 0.5946 | |
| Entamoeba histolytica | cysteine protease, putative | 0.0687 | 0.489 | 0.4054 |
| Giardia lamblia | Encystation-specific protease | 0.0246 | 0.1405 | 0.5 |
| Loa Loa (eye worm) | Papain cysteine protease/cathepsin propeptide inhibitor-containing protein | 0.1333 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.1333 | 1 | 1 |
| Plasmodium falciparum | serine repeat antigen 8 | 0.0246 | 0.1405 | 0.1236 |
| Trypanosoma cruzi | cruzipain precursor, putative | 0.0441 | 0.2945 | 0.1791 |
| Plasmodium falciparum | dipeptidyl aminopeptidase 3 | 0.0246 | 0.1405 | 0.1236 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.1333 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.1333 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.1405 | 0.0062 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.1333 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.1333 | 1 | 1 |
| Plasmodium vivax | vivapain-2 | 0.1333 | 1 | 1 |
| Loa Loa (eye worm) | fibroinase | 0.1333 | 1 | 1 |
| Onchocerca volvulus | 0.1333 | 1 | 1 | |
| Giardia lamblia | Cathepsin L precursor | 0.0246 | 0.1405 | 0.5 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.1333 | 1 | 1 |
| Brugia malayi | cathepsin L precursor | 0.0246 | 0.1405 | 0.0062 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.1333 | 1 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.1333 | 1 | 1 |
| Trypanosoma cruzi | cruzipain precursor, putative | 0.1333 | 1 | 1 |
| Trypanosoma cruzi | cysteine proteinase, putative | 0.0687 | 0.489 | 0.4054 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.1333 | 1 | 1 |
| Brugia malayi | Cathepsin L-like cysteine proteinase | 0.0893 | 0.6516 | 0.5971 |
| Echinococcus multilocularis | glutathione S transferase | 0.0093 | 0.0193 | 0.0193 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0687 | 0.489 | 0.4054 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.1333 | 1 | 1 |
| Plasmodium falciparum | serine repeat antigen 1 | 0.0246 | 0.1405 | 0.1236 |
| Brugia malayi | Cathepsin L-like precursor | 0.0441 | 0.2945 | 0.1842 |
| Echinococcus granulosus | cathepsin L | 0.0246 | 0.1405 | 0.1405 |
| Giardia lamblia | Cathepsin B precursor | 0.0246 | 0.1405 | 0.5 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.1333 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0441 | 0.2945 | 0.1842 |
| Plasmodium falciparum | cysteine proteinase falcipain 1 | 0.0687 | 0.489 | 0.4789 |
| Echinococcus multilocularis | cathepsin L cysteine protease | 0.1333 | 1 | 1 |
| Giardia lamblia | Cathepsin B precursor | 0.0246 | 0.1405 | 0.5 |
| Giardia lamblia | Cathepsin B precursor | 0.0246 | 0.1405 | 0.5 |
| Brugia malayi | cathepsin F-like cysteine proteinase | 0.0246 | 0.1405 | 0.0062 |
| Schistosoma mansoni | subfamily C1A unassigned peptidase (C01 family) | 0.0246 | 0.1405 | 0.1236 |
| Echinococcus granulosus | cathepsin L cysteine proteinase | 0.1333 | 1 | 1 |
| Echinococcus granulosus | cathepsin l1 | 0.1333 | 1 | 1 |
| Giardia lamblia | Dipeptidyl-peptidase I precursor | 0.0246 | 0.1405 | 0.5 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0687 | 0.489 | 0.4054 |
| Echinococcus granulosus | cysteine protease | 0.0687 | 0.489 | 0.489 |
| Plasmodium vivax | unspecified product | 0.0687 | 0.489 | 0.4054 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.1333 | 1 | 1 |
| Giardia lamblia | Cathepsin B precursor | 0.0246 | 0.1405 | 0.5 |
| Leishmania major | cathepsin L-like protease | 0.1333 | 1 | 1 |
| Onchocerca volvulus | Cathepsin F homolog | 0.1333 | 1 | 1 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.0687 | 0.489 | 0.4054 |
| Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0246 | 0.1405 | 0.1236 |
| Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0246 | 0.1405 | 0.1236 |
| Schistosoma mansoni | SmCL2-like peptidase (C01 family) | 0.0687 | 0.489 | 0.4789 |
| Entamoeba histolytica | cysteine protease, putative | 0.0687 | 0.489 | 0.4054 |
| Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0246 | 0.1405 | 0.1236 |
| Entamoeba histolytica | cysteine protease, putative | 0.0687 | 0.489 | 0.4054 |
| Loa Loa (eye worm) | cathepsin B | 0.0246 | 0.1405 | 0.0062 |
| Echinococcus multilocularis | cysteine protease | 0.1333 | 1 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.1333 | 1 | 1 |
| Giardia lamblia | Cysteine protease | 0.0246 | 0.1405 | 0.5 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.1333 | 1 | 1 |
| Plasmodium falciparum | serine repeat antigen 4 | 0.0246 | 0.1405 | 0.1236 |
| Schistosoma mansoni | cathepsin B (C01 family) | 0.0246 | 0.1405 | 0.1236 |
| Loa Loa (eye worm) | hypothetical protein | 0.0893 | 0.6516 | 0.5971 |
| Plasmodium falciparum | dipeptidyl aminopeptidase 1 | 0.0246 | 0.1405 | 0.1236 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.1333 | 1 | 1 |
| Echinococcus multilocularis | glutathione S transferase | 0.0078 | 0.0079 | 0.0079 |
| Entamoeba histolytica | cysteine protease, putative | 0.0687 | 0.489 | 0.4054 |
| Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0246 | 0.1405 | 0.1236 |
| Trypanosoma cruzi | cysteine protease, putative | 0.0687 | 0.489 | 0.4054 |
| Brugia malayi | Cathepsin L-like precursor | 0.1333 | 1 | 1 |
| Giardia lamblia | Hypothetical protein | 0.0246 | 0.1405 | 0.5 |
| Toxoplasma gondii | cathepsin CPL | 0.1333 | 1 | 1 |
| Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0246 | 0.1405 | 0.1236 |
| Echinococcus multilocularis | glutathione S-transferase | 0.0093 | 0.0193 | 0.0193 |
| Echinococcus multilocularis | cathepsin L cysteine protease | 0.1333 | 1 | 1 |
| Brugia malayi | cathepsin B-like cysteine proteinase | 0.0246 | 0.1405 | 0.0062 |
| Echinococcus granulosus | cathepsin b | 0.0246 | 0.1405 | 0.1405 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.1333 | 1 | 1 |
| Entamoeba histolytica | cysteine proteinase 1, putative | 0.0687 | 0.489 | 0.4054 |
| Echinococcus multilocularis | cathepsin L | 0.0687 | 0.489 | 0.489 |
| Echinococcus granulosus | cathepsin L | 0.0687 | 0.489 | 0.489 |
| Plasmodium vivax | vivapain-3 | 0.0687 | 0.489 | 0.4054 |
| Echinococcus granulosus | glutathione S transferase | 0.0093 | 0.0193 | 0.0193 |
| Entamoeba histolytica | cysteine protease, putative | 0.0687 | 0.489 | 0.4054 |
| Giardia lamblia | Cathepsin L-like protease | 0.0246 | 0.1405 | 0.5 |
| Giardia lamblia | Cathepsin L precursor | 0.0246 | 0.1405 | 0.5 |
| Plasmodium vivax | vivapain-1 | 0.0687 | 0.489 | 0.4054 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0687 | 0.489 | 0.4054 |
| Brugia malayi | fibroinase precursor | 0.0246 | 0.1405 | 0.0062 |
| Onchocerca volvulus | 0.1333 | 1 | 1 | |
| Plasmodium falciparum | serine repeat antigen 5 | 0.0246 | 0.1405 | 0.1236 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.1333 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0687 | 0.489 | 0.4054 |
| Brugia malayi | cathepsin L-like cysteine proteinase, identical | 0.0441 | 0.2945 | 0.1842 |
| Plasmodium vivax | vivapain-2 | 0.1333 | 1 | 1 |
| Echinococcus multilocularis | cathepsin b | 0.0246 | 0.1405 | 0.1405 |
| Brugia malayi | cahepsin L-like non-peptiedase homolog | 0.0246 | 0.1405 | 0.0062 |
| Loa Loa (eye worm) | papain family cysteine protease containing protein | 0.0441 | 0.2945 | 0.1842 |
| Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0246 | 0.1405 | 0.1236 |
| Plasmodium falciparum | serine repeat antigen 2 | 0.0246 | 0.1405 | 0.1236 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.1333 | 1 | 1 |
| Entamoeba histolytica | cysteine protease, putative | 0.0687 | 0.489 | 0.4054 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.1333 | 1 | 1 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.0893 | 0.6516 | 0.5946 |
| Schistosoma mansoni | subfamily C1A unassigned peptidase (C01 family) | 0.0246 | 0.1405 | 0.1236 |
| Loa Loa (eye worm) | hypothetical protein | 0.0441 | 0.2945 | 0.1842 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.1333 | 1 | 1 |
| Echinococcus multilocularis | cathepsin b | 0.0246 | 0.1405 | 0.1405 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.0687 | 0.489 | 0.4054 |
| Brugia malayi | cathepsin Z-like cysteine proteinase | 0.0246 | 0.1405 | 0.0062 |
| Giardia lamblia | Cathepsin L precursor | 0.0246 | 0.1405 | 0.5 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.1333 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.1333 | 1 | 1 |
| Leishmania major | cathepsin L-like protease | 0.1333 | 1 | 1 |
| Echinococcus multilocularis | glutathione S transferase | 0.0093 | 0.0193 | 0.0193 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.1333 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.1405 | 0.0062 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.1333 | 1 | 1 |
| Giardia lamblia | Dipeptidyl-peptidase I precursor | 0.0246 | 0.1405 | 0.5 |
| Brugia malayi | Papain family cysteine protease containing protein | 0.0246 | 0.1405 | 0.0062 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.1333 | 1 | 1 |
| Plasmodium vivax | unspecified product | 0.0441 | 0.2945 | 0.1791 |
| Echinococcus granulosus | cathepsin l cysteine peptidase | 0.1333 | 1 | 1 |
| Plasmodium falciparum | dipeptidyl aminopeptidase 2 | 0.0246 | 0.1405 | 0.1236 |
| Echinococcus multilocularis | cathepsin L | 0.0246 | 0.1405 | 0.1405 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.1333 | 1 | 1 |
| Brugia malayi | cathepsin L-like precursor | 0.0893 | 0.6516 | 0.5971 |
| Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0246 | 0.1405 | 0.1236 |
| Schistosoma mansoni | SmCB2 peptidase (C01 family) | 0.0246 | 0.1405 | 0.1236 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.1333 | 1 | 1 |
| Entamoeba histolytica | cysteine protease, putative | 0.1333 | 1 | 1 |
| Loa Loa (eye worm) | papain family cysteine protease containing protein | 0.1333 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0893 | 0.6516 | 0.5946 |
| Brugia malayi | Cathepsin L-like precursor | 0.0893 | 0.6516 | 0.5971 |
| Loa Loa (eye worm) | cysteine proteinase cathepsin Z | 0.0246 | 0.1405 | 0.0062 |
| Giardia lamblia | Cathepsin B precursor | 0.0246 | 0.1405 | 0.5 |
| Schistosoma mansoni | cathepsin C | 0.0246 | 0.1405 | 0.1236 |
| Leishmania major | cysteine peptidase A (CPA) | 0.1333 | 1 | 1 |
| Brugia malayi | cathepsin F-like cysteine proteinase | 0.0441 | 0.2945 | 0.1842 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.1333 | 1 | 1 |
| Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0246 | 0.1405 | 0.1236 |
| Trypanosoma cruzi | cysteine peptidase (N-terminal), putative | 0.0687 | 0.489 | 0.4054 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.1333 | 1 | 1 |
| Brugia malayi | cathepsin L-like cysteine proteinase | 0.0246 | 0.1405 | 0.0062 |
| Onchocerca volvulus | 0.1333 | 1 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.1405 | 0.0062 |
| Brugia malayi | Papain family cysteine protease containing protein | 0.0246 | 0.1405 | 0.0062 |
| Loa Loa (eye worm) | papain family cysteine protease containing protein | 0.0246 | 0.1405 | 0.0062 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.1405 | 0.0062 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.1333 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.1333 | 1 | 1 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.0687 | 0.489 | 0.4054 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.1333 | 1 | 1 |
| Plasmodium falciparum | cysteine proteinase falcipain 2b | 0.1333 | 1 | 1 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.1333 | 1 | 1 |
| Onchocerca volvulus | 0.1333 | 1 | 1 | |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0687 | 0.489 | 0.4054 |
| Brugia malayi | Papain family cysteine protease containing protein | 0.0687 | 0.489 | 0.4091 |
| Brugia malayi | Papain family cysteine protease containing protein | 0.0687 | 0.489 | 0.4091 |
| Echinococcus granulosus | cathepsin L cysteine protease | 0.0687 | 0.489 | 0.489 |
| Onchocerca volvulus | Cathepsin L homolog | 0.1333 | 1 | 1 |
| Schistosoma mansoni | dipeptidyl-peptidase I (C01 family) | 0.0246 | 0.1405 | 0.1236 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.1333 | 1 | 1 |
| Entamoeba histolytica | cysteine protease, putative | 0.0687 | 0.489 | 0.4054 |
| Echinococcus multilocularis | cathepsin l cysteine peptidase | 0.1333 | 1 | 1 |
| Plasmodium falciparum | serine repeat antigen 9 | 0.0246 | 0.1405 | 0.1236 |
| Echinococcus multilocularis | cathepsin l cysteine peptidase | 0.1333 | 1 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.1333 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.1333 | 1 | 1 |
| Giardia lamblia | Cathepsin L-like protease | 0.0246 | 0.1405 | 0.5 |
| Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0246 | 0.1405 | 0.1236 |
| Entamoeba histolytica | cysteine protease, putative | 0.0687 | 0.489 | 0.4054 |
| Giardia lamblia | Dipeptidyl-peptidase I precursor | 0.0246 | 0.1405 | 0.5 |
| Plasmodium falciparum | cysteine proteinase falcipain 3 | 0.1333 | 1 | 1 |
| Giardia lamblia | Cathepsin B-like cysteine proteinase 3 precursor | 0.0246 | 0.1405 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 0.04 uM | Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method | ChEMBL. | 25462236 |
| IC50 (binding) | = 4.8 uM | Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method | ChEMBL. | 25462236 |
| IC50 (ADMET) | = 5.5 uM | Cytotoxicity against human U2OS cells assessed as cell survival after 48 hrs SRB assay | ChEMBL. | 25462236 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | ChEMBL23 | 25462236 |
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.
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
- ChEMBL: CHEMBL3360527
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.