Detailed information for compound 1314960
Basic information
Technical information
- TDR Targets ID: 1314960
- Name: N-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3 ,4-thiadiazol-2-yl]-4-oxo-3-propan-2-ylphthal azine-1-carboxamide
- MW: 506.428 | Formula: C21H17Cl2N5O2S2
-
H donors: 1
H acceptors: 4
LogP: 5.31
Rotable bonds: 7
Rule of 5 violations (Lipinski): 2 - SMILES: Clc1cccc(c1CSc1nnc(s1)NC(=O)c1nn(C(C)C)c(=O)c2c1cccc2)Cl
- InChi: 1S/C21H17Cl2N5O2S2/c1-11(2)28-19(30)13-7-4-3-6-12(13)17(27-28)18(29)24-20-25-26-21(32-20)31-10-14-15(22)8-5-9-16(14)23/h3-9,11H,10H2,1-2H3,(H,24,25,29)
- InChiKey: LGHJHXPAVGYMMX-UHFFFAOYSA-N
Network
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Synonyms
- N-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-isopropyl-4-oxo-phthalazine-1-carboxamide
- N-[5-[(2,6-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-isopropyl-4-oxo-1-phthalazinecarboxamide
- N-[5-[(2,6-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-isopropyl-4-keto-phthalazine-1-carboxamide
- N-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxo-3-propan-2-yl-phthalazine-1-carboxamide
- MLS000565596
- SMR000152664
- T5221401
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
| Equus caballus | Ferritin light chain | Starlite/ChEMBL | No references |
| Mus musculus | RAR-related orphan receptor gamma | Starlite/ChEMBL | No references |
| Homo sapiens | ubiquitin specific peptidase 1 | Starlite/ChEMBL | No references |
| Streptococcus pyogenes serotype M1 | Streptokinase A | Starlite/ChEMBL | No references |
| Trypanosoma cruzi | cysteine peptidase, putative | Starlite/ChEMBL | No references |
| Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No 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 |
|---|---|---|---|---|---|
| Schistosoma mansoni | apoferritin-2 | Ferritin light chain | 175 aa | 146 aa | 28.8 % |
| Echinococcus granulosus | expressed protein | Ferritin light chain | 175 aa | 146 aa | 28.8 % |
| Schistosoma mansoni | apoferritin-2 | Ferritin light chain | 175 aa | 142 aa | 29.6 % |
| Schistosoma mansoni | ferritin | Ferritin light chain | 175 aa | 171 aa | 44.4 % |
| Brugia malayi | Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X | geminin, DNA replication inhibitor | 209 aa | 176 aa | 27.8 % |
| Schistosoma mansoni | ferritin | Ferritin light chain | 175 aa | 171 aa | 43.9 % |
| Echinococcus multilocularis | expressed protein | Ferritin light chain | 175 aa | 146 aa | 30.1 % |
| Schistosoma japonicum | Ferritin, putative | Ferritin light chain | 175 aa | 144 aa | 24.3 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.1708 | 1 |
| Brugia malayi | nuclear hormone receptor | 0.0012 | 0.0101 | 0.0542 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0042 | 0.1645 | 1 |
| Echinococcus granulosus | COUP TF:Svp nuclear hormone receptor | 0.0012 | 0.0101 | 0.0101 |
| Leishmania major | cathepsin L-like protease | 0.0077 | 0.3436 | 1 |
| Plasmodium vivax | vivapain-2 | 0.002 | 0.0514 | 0.3082 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Schistosoma mansoni | RAR-like nuclear receptor | 0.0012 | 0.0101 | 0.0101 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 0.3436 | 1 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0012 | 0.0101 | 0.0101 |
| Schistosoma mansoni | SmCL2-like peptidase (C01 family) | 0.001 | 0.0009 | 0.0009 |
| Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.017 | 0.0443 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0012 | 0.0101 | 0.0542 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Echinococcus multilocularis | cathepsin L cysteine protease | 0.002 | 0.0514 | 0.0514 |
| Echinococcus multilocularis | thyroid hormone receptor alpha | 0.0012 | 0.0101 | 0.0101 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.001 | 0.0009 | 0.0056 |
| Echinococcus granulosus | cathepsin L cysteine proteinase | 0.002 | 0.0514 | 0.0514 |
| Echinococcus multilocularis | ecdysone induced protein 78C | 0.0012 | 0.0101 | 0.0101 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.002 | 0.0514 | 0.0514 |
| Schistosoma mansoni | FTZ-F1 nuclear receptor-like protein | 0.0012 | 0.0101 | 0.0101 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.3436 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0012 | 0.0101 | 0.0542 |
| Loa Loa (eye worm) | ICD-1 protein | 0.0042 | 0.1645 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Echinococcus granulosus | cathepsin l cysteine peptidase | 0.002 | 0.0514 | 0.0514 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.002 | 0.0514 | 0.1472 |
| Brugia malayi | Nuclear hormone receptor family member nhr-1 | 0.0012 | 0.0101 | 0.0542 |
| Echinococcus granulosus | cathepsin l1 | 0.0014 | 0.017 | 0.017 |
| Brugia malayi | Cathepsin L-like precursor | 0.0014 | 0.017 | 0.0944 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Brugia malayi | Cathepsin L-like cysteine proteinase | 0.0014 | 0.017 | 0.0944 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.3436 | 1 |
| Trypanosoma cruzi | cysteine peptidase, clan CA, family C1, cathepsin L-like, putative | 0.007 | 0.3093 | 0.8997 |
| Brugia malayi | hypothetical protein | 0.0043 | 0.1708 | 1 |
| Echinococcus granulosus | Nuclear hormone receptor family member nhr 41 | 0.0012 | 0.0101 | 0.0101 |
| Schistosoma mansoni | hypothetical protein | 0.0043 | 0.1708 | 0.1708 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.3436 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0012 | 0.0101 | 0.0542 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0014 | 0.017 | 0.1031 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.0014 | 0.017 | 0.017 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Echinococcus granulosus | transcription factor btf3 | 0.0042 | 0.1645 | 0.1645 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.3436 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Plasmodium falciparum | cysteine proteinase falcipain 3 | 0.002 | 0.0514 | 0.3082 |
| Onchocerca volvulus | 0.002 | 0.0514 | 1 | |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Trypanosoma cruzi | major cysteine proteinase, putative | 0.0061 | 0.2588 | 0.7525 |
| Brugia malayi | ecdysteroid receptor | 0.0012 | 0.0101 | 0.0542 |
| Brugia malayi | photoreceptor-specific nuclear receptor | 0.0012 | 0.0101 | 0.0542 |
| Loa Loa (eye worm) | cysteine protease | 0.002 | 0.0514 | 0.267 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.1708 | 0.1708 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.3436 | 1 |
| Echinococcus granulosus | FTZ F1 nuclear receptor protein | 0.0012 | 0.0101 | 0.0101 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0012 | 0.0101 | 0.0101 |
| Echinococcus multilocularis | cysteine protease | 0.002 | 0.0514 | 0.0514 |
| Onchocerca volvulus | 0.002 | 0.0514 | 1 | |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 0.3436 | 1 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0012 | 0.0101 | 0.0101 |
| Schistosoma mansoni | nuclear hormone receptor | 0.0012 | 0.0101 | 0.0101 |
| Brugia malayi | cathepsin L-like precursor | 0.0014 | 0.017 | 0.0944 |
| Schistosoma mansoni | coup transcription factor | 0.0012 | 0.0101 | 0.0101 |
| Toxoplasma gondii | NAC domain-containing protein | 0.0042 | 0.1645 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0514 | 0.2968 |
| Loa Loa (eye worm) | fibroinase | 0.002 | 0.0514 | 0.267 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 0.3436 | 1 |
| Schistosoma mansoni | nuclear hormone receptor nor-1/nor-2 | 0.0012 | 0.0101 | 0.0101 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Onchocerca volvulus | 0.002 | 0.0514 | 1 | |
| Echinococcus granulosus | cathepsin L | 0.001 | 0.0009 | 0.0009 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.3436 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.001 | 0.0009 | 0.0056 |
| Brugia malayi | Steroid receptor seven-up type 2 | 0.0012 | 0.0101 | 0.0542 |
| Schistosoma mansoni | SmCL2-like peptidase (C01 family) | 0.001 | 0.0009 | 0.0009 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.002 | 0.0514 | 0.2968 |
| Entamoeba histolytica | transcription factor BTF3, putative | 0.0042 | 0.1645 | 0.9629 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Onchocerca volvulus | Cathepsin F homolog | 0.002 | 0.0514 | 1 |
| Echinococcus multilocularis | cathepsin l cysteine peptidase | 0.002 | 0.0514 | 0.0514 |
| Echinococcus multilocularis | FTZ F1 alpha | 0.0012 | 0.0101 | 0.0101 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0012 | 0.0101 | 0.0101 |
| Brugia malayi | beta-NAC-like protein | 0.0042 | 0.1645 | 0.9629 |
| Entamoeba histolytica | cysteine protease, putative | 0.002 | 0.0514 | 0.2968 |
| Leishmania major | cathepsin L-like protease | 0.0077 | 0.3436 | 1 |
| Schistosoma mansoni | Tr4/Tr2 (homologue) | 0.0012 | 0.0101 | 0.0101 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0012 | 0.0101 | 0.0542 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0012 | 0.0101 | 0.0542 |
| Plasmodium falciparum | basic transcription factor 3b, putative | 0.0042 | 0.1645 | 1 |
| Echinococcus granulosus | retinoic acid receptor rxr beta a | 0.0012 | 0.0101 | 0.0101 |
| Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.017 | 0.0443 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Brugia malayi | Nuclear hormone receptor family member nhr-40 | 0.0012 | 0.0101 | 0.0542 |
| Echinococcus multilocularis | cathepsin L | 0.001 | 0.0009 | 0.0009 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0514 | 0.2968 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.002 | 0.0514 | 0.2968 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.3436 | 1 |
| Trypanosoma brucei | transcription factor BTF3, putative | 0.0042 | 0.1645 | 0.4774 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0042 | 0.1645 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.3436 | 1 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.0012 | 0.0101 | 0.0101 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.1708 | 1 |
| Echinococcus multilocularis | cysteine protease | 0.002 | 0.0514 | 0.0514 |
| Onchocerca volvulus | Cathepsin L homolog | 0.002 | 0.0514 | 1 |
| Echinococcus granulosus | cathepsin l1 | 0.002 | 0.0514 | 0.0514 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0012 | 0.0101 | 0.0542 |
| Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.017 | 0.0443 |
| Plasmodium falciparum | cysteine proteinase falcipain 2b | 0.002 | 0.0514 | 0.3082 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.002 | 0.0514 | 0.0514 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Onchocerca volvulus | Cathepsin L homolog | 0.002 | 0.0514 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.3436 | 1 |
| Echinococcus multilocularis | cathepsin l cysteine peptidase | 0.002 | 0.0514 | 0.0514 |
| Onchocerca volvulus | 0.002 | 0.0514 | 1 | |
| Trypanosoma cruzi | transcription factor btf3, putative | 0.0042 | 0.1645 | 0.4774 |
| Brugia malayi | Nuclear hormone receptor family member nhr-41 | 0.0012 | 0.0101 | 0.0542 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0012 | 0.0101 | 0.0101 |
| Echinococcus multilocularis | cathepsin L cysteine protease | 0.002 | 0.0514 | 0.0514 |
| Echinococcus granulosus | ecdysone induced protein 78C | 0.0012 | 0.0101 | 0.0101 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.1708 | 0.1708 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0514 | 0.2968 |
| Plasmodium vivax | basic transcription factor 3b, putative | 0.0042 | 0.1645 | 1 |
| Echinococcus multilocularis | Nuclear hormone receptor family member nhr 41 | 0.0012 | 0.0101 | 0.0101 |
| Echinococcus granulosus | FTZ F1 alpha | 0.0012 | 0.0101 | 0.0101 |
| Echinococcus multilocularis | FTZ F1 nuclear receptor protein | 0.0012 | 0.0101 | 0.0101 |
| Echinococcus multilocularis | COUP TF:Svp nuclear hormone receptor | 0.0012 | 0.0101 | 0.0101 |
| Onchocerca volvulus | 0.002 | 0.0514 | 1 | |
| Brugia malayi | steroid hormone receptor | 0.0012 | 0.0101 | 0.0542 |
| Entamoeba histolytica | hypothetical protein | 0.0042 | 0.1645 | 0.9629 |
| Trypanosoma cruzi | cruzipain precursor, putative | 0.0077 | 0.3436 | 1 |
| Schistosoma mansoni | photoreceptor-specific nuclear receptor related | 0.0012 | 0.0101 | 0.0101 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0514 | 0.2968 |
| Schistosoma mansoni | transcription factor btf3 | 0.0042 | 0.1645 | 0.1645 |
| Brugia malayi | nuclear receptor NHR-88 | 0.0012 | 0.0101 | 0.0542 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.1708 | 1 |
| Brugia malayi | Papain family cysteine protease containing protein | 0.002 | 0.0514 | 0.2968 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0012 | 0.0101 | 0.0542 |
| Brugia malayi | Nuclear hormone receptor family member nhr-14 | 0.0012 | 0.0101 | 0.0542 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0012 | 0.0101 | 0.0101 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0014 | 0.017 | 0.1031 |
| Loa Loa (eye worm) | Papain cysteine protease/cathepsin propeptide inhibitor-containing protein | 0.002 | 0.0514 | 0.267 |
| Loa Loa (eye worm) | papain family cysteine protease containing protein | 0.002 | 0.0514 | 0.267 |
| Leishmania major | basic transcription factor 3a, putative | 0.0042 | 0.1645 | 0.3872 |
| Schistosoma mansoni | retinoic acid receptor RXR | 0.0012 | 0.0101 | 0.0101 |
| Echinococcus granulosus | cysteine protease | 0.001 | 0.0009 | 0.0009 |
| Schistosoma mansoni | steroid hormone receptor ad4bp | 0.0012 | 0.0101 | 0.0101 |
| Schistosoma mansoni | SmCL2-like peptidase (C01 family) | 0.001 | 0.0009 | 0.0009 |
| Onchocerca volvulus | 0.0014 | 0.017 | 0.166 | |
| Echinococcus multilocularis | hepatocyte nuclear factor 4 alpha | 0.0012 | 0.0101 | 0.0101 |
| Echinococcus multilocularis | transcription factor btf3 | 0.0042 | 0.1645 | 0.1645 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Brugia malayi | Nuclear hormone receptor family member nhr-3 | 0.0012 | 0.0101 | 0.0542 |
| Loa Loa (eye worm) | ctsf protein | 0.002 | 0.0514 | 0.267 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.1708 | 1 |
| Leishmania major | cathepsin L-like protease | 0.0077 | 0.3436 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Onchocerca volvulus | 0.002 | 0.0514 | 1 | |
| Echinococcus granulosus | cathepsin L cysteine protease | 0.001 | 0.0009 | 0.0009 |
| Trypanosoma cruzi | transcription factor btf3, putative | 0.0042 | 0.1645 | 0.4774 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.3436 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.3436 | 1 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.1708 | 0.1708 |
| Onchocerca volvulus | 0.002 | 0.0514 | 1 | |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0042 | 0.1645 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-31 | 0.0012 | 0.0101 | 0.0542 |
| Plasmodium falciparum | cysteine proteinase falcipain 2a | 0.002 | 0.0514 | 0.3082 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Brugia malayi | Cathepsin L-like precursor | 0.0014 | 0.017 | 0.0944 |
| Schistosoma mansoni | nuclear receptor 2DBD-gamma | 0.0012 | 0.0101 | 0.0101 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0514 | 0.2968 |
| Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.0514 | 0.267 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.002 | 0.0514 | 0.3121 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.0014 | 0.017 | 0.0944 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0514 | 0.2968 |
| Plasmodium vivax | vivapain-2 | 0.002 | 0.0514 | 0.3082 |
| Echinococcus granulosus | hepatocyte nuclear factor 4 alpha | 0.0012 | 0.0101 | 0.0101 |
| Brugia malayi | Nuclear hormone receptor family member nhr-49 | 0.0012 | 0.0101 | 0.0542 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| EC50 (functional) | = 1.676 um | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] | ChEMBL. | No reference |
| EC50 (functional) | > 150 um | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] | ChEMBL. | No reference |
| Potency (binding) | = 3.5481 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] | ChEMBL. | No reference |
| Potency (functional) | 4.1095 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] | ChEMBL. | No reference |
| Potency (functional) | = 14.1254 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 15.8489 uM | PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 16.5113 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 18.3564 uM | PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] | ChEMBL. | No reference |
| Potency (functional) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 29.0929 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 60.1198 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 |
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: CHEMBL1468737
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.