Detailed information for compound 1886168
Basic information
Technical information
- TDR Targets ID: 1886168
- Name: N-[(4-chlorophenyl)methylideneamino]-2-[(4-me thylphenyl)sulfonylamino]acetamide
- MW: 365.835 | Formula: C16H16ClN3O3S
-
H donors: 2
H acceptors: 3
LogP: 2.86
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(CNS(=O)(=O)c1ccc(cc1)C)N/N=C/c1ccc(cc1)Cl
- InChi: 1S/C16H16ClN3O3S/c1-12-2-8-15(9-3-12)24(22,23)19-11-16(21)20-18-10-13-4-6-14(17)7-5-13/h2-10,19H,11H2,1H3,(H,20,21)/b18-10+
- InChiKey: LBZNLVBJDKUXEH-VCHYOVAHSA-N
Network
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Synonyms
- N-[(4-chlorophenyl)methyleneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide
- N-[(4-chlorobenzylidene)amino]-2-[(4-methylphenyl)sulfonylamino]acetamide
- N-[(4-chlorophenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]ethanamide
- BAS 00402246
- MLS000553831
- SMR000171416
- N-(4-Chloro-benzylidene-hydrazinocarbonylmethyl)-4-methyl-benzenesulfonamide
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | bromodomain adjacent to zinc finger domain, 2B | Starlite/ChEMBL | No references |
| Homo sapiens | ataxin 2 | 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 |
|---|---|---|---|---|
| Toxoplasma gondii | LsmAD domain-containing protein | 0.003 | 0.1016 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 0.9228 | 1 |
| Brugia malayi | Bromodomain containing protein | 0.0046 | 0.3378 | 0.2673 |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.003 | 0.1016 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0046 | 0.3391 | 0.3541 |
| Leishmania major | calcium channel protein, putative,ion transporter, putative | 0.0088 | 0.9564 | 1 |
| Schistosoma mansoni | bromodomain containing protein | 0.0076 | 0.7886 | 1 |
| Plasmodium vivax | ataxin-2 like protein, putative | 0.003 | 0.1016 | 0.5 |
| Echinococcus multilocularis | sodium channel protein | 0.0088 | 0.9564 | 1 |
| Echinococcus granulosus | sodium channel protein | 0.0088 | 0.9564 | 1 |
| Echinococcus granulosus | fetal alzheimer antigen falz | 0.0027 | 0.0535 | 0.056 |
| Loa Loa (eye worm) | hypothetical protein | 0.0049 | 0.3818 | 0.4014 |
| Trypanosoma brucei | PAB1-binding protein , putative | 0.003 | 0.1016 | 0.5 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0043 | 0.2951 | 0.3085 |
| Loa Loa (eye worm) | hypothetical protein | 0.0052 | 0.4163 | 0.4395 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.003 | 0.1016 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0025 | 0.0191 | 0.0242 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0072 | 0.724 | 0.7569 |
| Brugia malayi | hypothetical protein | 0.003 | 0.1016 | 0.0059 |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.003 | 0.1016 | 0.5 |
| Schistosoma mansoni | acetyl-CoA C-acetyltransferase | 0.0027 | 0.0535 | 0.0679 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.003 | 0.1016 | 0.5 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0043 | 0.2951 | 0.3085 |
| Loa Loa (eye worm) | hypothetical protein | 0.003 | 0.1016 | 0.0913 |
| Echinococcus granulosus | voltage gated sodium channel Nav1 alpha subunit | 0.0088 | 0.9564 | 1 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0072 | 0.724 | 0.7569 |
| Echinococcus multilocularis | fetal alzheimer antigen, falz | 0.0027 | 0.0535 | 0.056 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 0.7079 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | 10 uM | PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 18.526 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 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) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 39.8107 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) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | 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: CHEMBL3211103
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.