Detailed information for compound 1381700
Basic information
Technical information
- TDR Targets ID: 1381700
- Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2 -[5-(4-methylphenyl)tetrazol-2-yl]ethanone
- MW: 419.503 | Formula: C21H21N7OS
-
H donors: 0
H acceptors: 5
LogP: 4.16
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: Cc1ccc(cc1)c1nnn(n1)CC(=O)N1CCN(CC1)c1nc2c(s1)cccc2
- InChi: 1S/C21H21N7OS/c1-15-6-8-16(9-7-15)20-23-25-28(24-20)14-19(29)26-10-12-27(13-11-26)21-22-17-4-2-3-5-18(17)30-21/h2-9H,10-14H2,1H3
- InChiKey: DYBJEENSHIKXKH-UHFFFAOYSA-N
Network
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Synonyms
- 1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-2-[5-(4-methylphenyl)-2-tetrazolyl]ethanone
- 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]ethanone
- Oprea1_430923
- 1-(4-Benzothiazol-2-yl-piperazin-1-yl)-2-(5-p-tolyl-tetrazol-2-yl)-ethanone
- MLS000031957
- SMR000006048
- ASN 05990698
- ZINC01365268
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
| Trypanosoma cruzi | cysteine peptidase, putative | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Entamoeba histolytica | cysteine proteinase, putative | 0.002 | 0.1053 | 1 |
| Loa Loa (eye worm) | cysteine protease | 0.002 | 0.1053 | 0.3513 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.002 | 0.1053 | 0.3513 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Plasmodium falciparum | cysteine proteinase falcipain 2b | 0.002 | 0.1053 | 0.5 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.002 | 0.1053 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Echinococcus multilocularis | cathepsin l cysteine peptidase | 0.002 | 0.1053 | 0.2673 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.2997 | 1 |
| Loa Loa (eye worm) | Papain cysteine protease/cathepsin propeptide inhibitor-containing protein | 0.002 | 0.1053 | 0.3513 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Echinococcus granulosus | lamin | 0.0033 | 0.2997 | 1 |
| Leishmania major | cathepsin L-like protease | 0.0077 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 1 | 0.5 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.2997 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0015 | 0.025 | 0.0833 |
| Trypanosoma cruzi | cruzipain precursor, putative | 0.0077 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Echinococcus multilocularis | cathepsin L cysteine protease | 0.002 | 0.1053 | 0.2673 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.002 | 0.1053 | 0.3513 |
| Echinococcus multilocularis | cathepsin l cysteine peptidase | 0.002 | 0.1053 | 0.2673 |
| Echinococcus multilocularis | cysteine protease | 0.002 | 0.1053 | 0.2673 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Brugia malayi | intermediate filament protein | 0.0033 | 0.2997 | 1 |
| Echinococcus granulosus | cytoplasmic intermediate filament protein | 0.0016 | 0.0343 | 0.1146 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.2997 | 1 |
| Toxoplasma gondii | cathepsin CPL | 0.002 | 0.1053 | 0.5 |
| Entamoeba histolytica | cysteine protease, putative | 0.002 | 0.1053 | 1 |
| Onchocerca volvulus | Cathepsin L homolog | 0.002 | 0.1053 | 0.3513 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.1053 | 0.3513 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.0343 | 0.1146 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Loa Loa (eye worm) | fibroinase | 0.002 | 0.1053 | 0.3513 |
| Onchocerca volvulus | 0.0033 | 0.2997 | 1 | |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.1053 | 0.3513 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 1 | 0.5 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Onchocerca volvulus | 0.002 | 0.1053 | 0.3513 | |
| Onchocerca volvulus | Cathepsin L homolog | 0.002 | 0.1053 | 0.3513 |
| Trypanosoma cruzi | major cysteine proteinase, putative | 0.0061 | 0.7404 | 0.7098 |
| Onchocerca volvulus | 0.002 | 0.1053 | 0.3513 | |
| Echinococcus multilocularis | musashi | 0.0033 | 0.2997 | 1 |
| Schistosoma mansoni | lamin | 0.0033 | 0.2997 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 1 | 0.5 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.2997 | 1 |
| Echinococcus granulosus | cathepsin L cysteine proteinase | 0.002 | 0.1053 | 0.3513 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 1 | 1 |
| Schistosoma mansoni | intermediate filament proteins | 0.0033 | 0.2997 | 1 |
| Brugia malayi | cytoplasmic intermediate filament protein | 0.0017 | 0.0616 | 0.2055 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 1 | 0.5 |
| Onchocerca volvulus | 0.002 | 0.1053 | 0.3513 | |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 1 | 0.5 |
| Onchocerca volvulus | 0.002 | 0.1053 | 0.3513 | |
| Onchocerca volvulus | Cathepsin F homolog | 0.002 | 0.1053 | 0.3513 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 1 | 1 |
| Echinococcus granulosus | cathepsin l1 | 0.002 | 0.1053 | 0.3513 |
| Brugia malayi | Papain family cysteine protease containing protein | 0.002 | 0.1053 | 0.3513 |
| Onchocerca volvulus | 0.002 | 0.1053 | 0.3513 | |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Loa Loa (eye worm) | ctsf protein | 0.002 | 0.1053 | 0.3513 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 1 | 0.5 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 1 | 0.5 |
| Echinococcus granulosus | lamin dm0 | 0.0033 | 0.2997 | 1 |
| Plasmodium falciparum | cysteine proteinase falcipain 2a | 0.002 | 0.1053 | 0.5 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0015 | 0.025 | 0.0833 |
| Onchocerca volvulus | 0.0033 | 0.2997 | 1 | |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.2903 | 0.9687 |
| Trypanosoma cruzi | cysteine peptidase, clan CA, family C1, cathepsin L-like, putative | 0.007 | 0.8947 | 0.8824 |
| Leishmania major | cathepsin L-like protease | 0.0077 | 1 | 1 |
| Echinococcus multilocularis | lamin | 0.0033 | 0.2997 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.1053 | 0.3513 |
| Echinococcus granulosus | intermediate filament protein | 0.0033 | 0.2997 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.1053 | 0.3513 |
| Echinococcus multilocularis | cysteine protease | 0.002 | 0.1053 | 0.2673 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.1053 | 0.3513 |
| Onchocerca volvulus | 0.002 | 0.1053 | 0.3513 | |
| Echinococcus multilocularis | cathepsin L cysteine protease | 0.002 | 0.1053 | 0.2673 |
| Echinococcus multilocularis | lamin dm0 | 0.0033 | 0.2997 | 1 |
| Loa Loa (eye worm) | papain family cysteine protease containing protein | 0.002 | 0.1053 | 0.3513 |
| Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0017 | 0.0616 | 0.2055 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.1053 | 0.3513 |
| Schistosoma mansoni | lamin | 0.0033 | 0.2997 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 1 | 0.5 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 1 | 0.5 |
| Onchocerca volvulus | 0.002 | 0.1053 | 0.3513 | |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Plasmodium vivax | vivapain-2 | 0.002 | 0.1053 | 0.5 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.1053 | 0.3513 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 1 | 0.5 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 1 | 1 |
| Echinococcus granulosus | cathepsin l cysteine peptidase | 0.002 | 0.1053 | 0.3513 |
| Plasmodium vivax | vivapain-2 | 0.002 | 0.1053 | 0.5 |
| Plasmodium falciparum | cysteine proteinase falcipain 3 | 0.002 | 0.1053 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 0.8275 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) | = 2.2387 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 10 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) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] | 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
| 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: CHEMBL1511500
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.