Detailed information for compound 620311
Basic information
Technical information
- TDR Targets ID: 620311
- Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-pyrr olidin-1-ylsulfonylbenzamide
- MW: 415.529 | Formula: C20H21N3O3S2
-
H donors: 1
H acceptors: 4
LogP: 3.91
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)Nc1nc2c(s1)c(C)ccc2C
- InChi: 1S/C20H21N3O3S2/c1-13-5-6-14(2)18-17(13)21-20(27-18)22-19(24)15-7-9-16(10-8-15)28(25,26)23-11-3-4-12-23/h5-10H,3-4,11-12H2,1-2H3,(H,21,22,24)
- InChiKey: YMHSTXKMQOYHHR-UHFFFAOYSA-N
Network
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Synonyms
- N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide
- N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-1-pyrrolidinylsulfonylbenzamide
- NCGC00134193-01
- ZINC02723905
- G786-0853
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Trypanosoma cruzi | cysteine peptidase, putative | Starlite/ChEMBL | No references |
| Homo sapiens | lamin A/C | 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 |
|---|---|---|---|---|
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.0051 | 0.5976 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Echinococcus granulosus | cathepsin l1 | 0.002 | 0.1053 | 0.3513 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.0051 | 0.5976 | 1 |
| 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 | 0.1761 |
| Onchocerca volvulus | Cathepsin L homolog | 0.002 | 0.1053 | 0.3513 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 1 | 1 |
| Echinococcus multilocularis | lamin dm0 | 0.0033 | 0.2997 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.3411 | 0.5707 |
| Echinococcus multilocularis | musashi | 0.0033 | 0.2997 | 1 |
| 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 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Plasmodium falciparum | cysteine proteinase falcipain 3 | 0.002 | 0.1053 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0051 | 0.5976 | 1 |
| Echinococcus multilocularis | GPCR, family 2 | 0.0016 | 0.0434 | 0.0341 |
| Onchocerca volvulus | 0.002 | 0.1053 | 0.3513 | |
| Schistosoma mansoni | hypothetical protein | 0.0016 | 0.0434 | 0.1272 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.1053 | 0.1761 |
| Onchocerca volvulus | 0.002 | 0.1053 | 0.3513 | |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.1053 | 0.1761 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.2997 | 0.5014 |
| 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 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Loa Loa (eye worm) | latrophilin receptor protein 2 | 0.0016 | 0.0434 | 0.0726 |
| Leishmania major | cathepsin L-like protease | 0.0077 | 1 | 1 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.002 | 0.1053 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0016 | 0.0434 | 0.1272 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Echinococcus granulosus | GPCR family 2 | 0.0016 | 0.0434 | 0.1448 |
| Echinococcus granulosus | lamin dm0 | 0.0033 | 0.2997 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Onchocerca volvulus | 0.002 | 0.1053 | 0.3513 | |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.2997 | 0.5014 |
| Schistosoma mansoni | hypothetical protein | 0.0016 | 0.0434 | 0.1272 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.0343 | 0.0575 |
| 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 | 0.1761 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 1 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0016 | 0.0434 | 0.1272 |
| 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 multilocularis | cysteine protease | 0.002 | 0.1053 | 0.2673 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 1 | 0.5 |
| Echinococcus multilocularis | cadherin EGF LAG seven pass G type receptor | 0.0016 | 0.0434 | 0.0341 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Echinococcus multilocularis | cathepsin L cysteine protease | 0.002 | 0.1053 | 0.2673 |
| Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0017 | 0.0616 | 0.103 |
| Echinococcus multilocularis | cysteine protease | 0.002 | 0.1053 | 0.2673 |
| Entamoeba histolytica | cysteine protease, putative | 0.002 | 0.1053 | 1 |
| Echinococcus granulosus | lamin | 0.0033 | 0.2997 | 1 |
| Plasmodium falciparum | cysteine proteinase falcipain 2b | 0.002 | 0.1053 | 0.5 |
| Brugia malayi | Latrophilin receptor protein 2 | 0.0016 | 0.0434 | 0.0726 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.002 | 0.1053 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Trypanosoma cruzi | cysteine peptidase, clan CA, family C1, cathepsin L-like, putative | 0.007 | 0.8947 | 0.8824 |
| Onchocerca volvulus | Cathepsin F homolog | 0.002 | 0.1053 | 0.3513 |
| Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.1053 | 0.1761 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Onchocerca volvulus | 0.002 | 0.1053 | 0.3513 | |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0035 | 0.3411 | 0.5707 |
| Brugia malayi | intermediate filament protein | 0.0033 | 0.2997 | 0.5014 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.002 | 0.1053 | 0.3086 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0015 | 0.025 | 0.0418 |
| Loa Loa (eye worm) | papain family cysteine protease containing protein | 0.002 | 0.1053 | 0.1761 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.2997 | 0.5014 |
| Echinococcus multilocularis | cathepsin l cysteine peptidase | 0.002 | 0.1053 | 0.2673 |
| Brugia malayi | calcium-independent alpha-latrotoxin receptor 2, putative | 0.0016 | 0.0434 | 0.0726 |
| Schistosoma mansoni | lamin | 0.0033 | 0.2997 | 0.8786 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.2997 | 0.5014 |
| Trypanosoma cruzi | cruzipain precursor, putative | 0.0077 | 1 | 1 |
| Echinococcus granulosus | cytoplasmic intermediate filament protein | 0.0016 | 0.0343 | 0.1146 |
| Echinococcus granulosus | cathepsin L cysteine proteinase | 0.002 | 0.1053 | 0.3513 |
| 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 | 0.1761 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Trypanosoma cruzi | major cysteine proteinase, putative | 0.0061 | 0.7404 | 0.7098 |
| Plasmodium vivax | vivapain-2 | 0.002 | 0.1053 | 0.5 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Onchocerca volvulus | 0.0033 | 0.2997 | 1 | |
| Echinococcus granulosus | diuretic hormone 44 receptor GPRdih2 | 0.0016 | 0.0434 | 0.1448 |
| Plasmodium falciparum | cysteine proteinase falcipain 2a | 0.002 | 0.1053 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.2903 | 0.4857 |
| Plasmodium vivax | vivapain-2 | 0.002 | 0.1053 | 0.5 |
| Toxoplasma gondii | cathepsin CPL | 0.002 | 0.1053 | 0.5 |
| Brugia malayi | Papain family cysteine protease containing protein | 0.002 | 0.1053 | 0.1761 |
| 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 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Brugia malayi | cytoplasmic intermediate filament protein | 0.0017 | 0.0616 | 0.103 |
| Onchocerca volvulus | Cathepsin L homolog | 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 |
| Schistosoma mansoni | hypothetical protein | 0.0035 | 0.3411 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Onchocerca volvulus | 0.002 | 0.1053 | 0.3513 | |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.1053 | 0.1761 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.0434 | 0.0726 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Schistosoma mansoni | intermediate filament proteins | 0.0033 | 0.2997 | 0.8786 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.002 | 0.1053 | 0.3086 |
| Echinococcus granulosus | cathepsin l cysteine peptidase | 0.002 | 0.1053 | 0.3513 |
| Echinococcus granulosus | cadherin EGF LAG seven pass G type receptor | 0.0016 | 0.0434 | 0.1448 |
| Onchocerca volvulus | 0.0033 | 0.2997 | 1 | |
| Loa Loa (eye worm) | cysteine protease | 0.002 | 0.1053 | 0.1761 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Echinococcus multilocularis | cathepsin l cysteine peptidase | 0.002 | 0.1053 | 0.2673 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.1053 | 1 |
| Onchocerca volvulus | 0.002 | 0.1053 | 0.3513 | |
| Loa Loa (eye worm) | Papain cysteine protease/cathepsin propeptide inhibitor-containing protein | 0.002 | 0.1053 | 0.1761 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 1 | 0.5 |
| Schistosoma mansoni | lamin | 0.0033 | 0.2997 | 0.8786 |
| 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 | 0.0418 |
| Echinococcus multilocularis | diuretic hormone 44 receptor GPRdih2 | 0.0016 | 0.0434 | 0.0341 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.0051 | 0.5976 | 1 |
| Echinococcus granulosus | intermediate filament protein | 0.0033 | 0.2997 | 1 |
| Onchocerca volvulus | 0.002 | 0.1053 | 0.3513 | |
| Echinococcus multilocularis | cathepsin L cysteine protease | 0.002 | 0.1053 | 0.2673 |
| Echinococcus multilocularis | 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) | fibroinase | 0.002 | 0.1053 | 0.1761 |
| Loa Loa (eye worm) | ctsf protein | 0.002 | 0.1053 | 0.1761 |
| Leishmania major | cathepsin L-like protease | 0.0077 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 2.2387 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | ChEMBL. | No reference |
| Potency (functional) | = 5.6234 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 6.3096 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 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | 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: CHEMBL1395795
- Search by Saint Jude
Bibliographic References
No literature references available for this target.
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