Detailed information for compound 1382439
Basic information
Technical information
- TDR Targets ID: 1382439
- Name: N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzen esulfonamide
- MW: 279.318 | Formula: C11H13N5O2S
-
H donors: 3
H acceptors: 4
LogP: 1.03
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: NNc1cc(C)nc(n1)NS(=O)(=O)c1ccccc1
- InChi: 1S/C11H13N5O2S/c1-8-7-10(15-12)14-11(13-8)16-19(17,18)9-5-3-2-4-6-9/h2-7H,12H2,1H3,(H2,13,14,15,16)
- InChiKey: LGSZZZYFJJSGEZ-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-(4-hydrazino-6-methyl-pyrimidin-2-yl)benzenesulfonamide
- N-(4-hydrazino-6-methyl-2-pyrimidinyl)benzenesulfonamide
- N-(4-hydrazinyl-6-methyl-pyrimidin-2-yl)benzenesulfonamide
- BAS 01076338
- N-(4-Hydrazino-6-methyl-pyrimidin-2-yl)-benzenesulfonamide
- MLS000713421
- SMR000272902
- ZINC00270444
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
| Homo sapiens | bromodomain adjacent to zinc finger domain, 2B | Starlite/ChEMBL | No references |
| Homo sapiens | pyruvate kinase, muscle | 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 |
|---|---|---|---|---|---|
| Echinococcus granulosus | pyruvate kinase | pyruvate kinase, muscle | 605 aa | 521 aa | 34.9 % |
| Mycobacterium tuberculosis | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Schistosoma mansoni | bromodomain containing protein | 0.0076 | 0.7956 | 1 |
| Schistosoma mansoni | pyruvate kinase | 0.004 | 0.2737 | 0.3154 |
| Brugia malayi | Pyruvate kinase, M2 isozyme | 0.004 | 0.2737 | 0.1687 |
| Schistosoma mansoni | hypothetical protein | 0.0025 | 0.0518 | 0.0242 |
| Mycobacterium tuberculosis | Probable pyruvate kinase PykA | 0.004 | 0.2737 | 0.5 |
| Plasmodium falciparum | pyruvate kinase | 0.004 | 0.2737 | 0.5 |
| Echinococcus granulosus | pyruvate kinase | 0.004 | 0.2737 | 0.3435 |
| Loa Loa (eye worm) | hypothetical protein | 0.0046 | 0.3611 | 0.3902 |
| Mycobacterium leprae | Probable pyruvate kinase PykA | 0.004 | 0.2737 | 0.5 |
| Trypanosoma cruzi | pyruvate kinase 2, putative | 0.004 | 0.2737 | 0.5 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.2737 | 0.2958 |
| Trichomonas vaginalis | pyruvate kinase, putative | 0.004 | 0.2737 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0052 | 0.4357 | 0.4709 |
| Trypanosoma brucei | pyruvate kinase 1 | 0.004 | 0.2737 | 0.5 |
| Echinococcus multilocularis | pyruvate kinase | 0.004 | 0.2737 | 0.3435 |
| Echinococcus granulosus | fetal alzheimer antigen falz | 0.0027 | 0.0851 | 0.0739 |
| Plasmodium vivax | pyruvate kinase, putative | 0.004 | 0.2737 | 0.5 |
| Chlamydia trachomatis | pyruvate kinase | 0.004 | 0.2737 | 0.5 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.2737 | 0.5 |
| Echinococcus multilocularis | pyruvate kinase | 0.0032 | 0.1511 | 0.1683 |
| Loa Loa (eye worm) | hypothetical protein | 0.004 | 0.2737 | 0.2958 |
| Leishmania major | pyruvate kinase | 0.004 | 0.2737 | 0.5 |
| Toxoplasma gondii | pyruvate kinase PyK1 | 0.004 | 0.2737 | 0.5 |
| Brugia malayi | Pyruvate kinase, muscle isozyme | 0.004 | 0.2737 | 0.1687 |
| Schistosoma mansoni | acetyl-CoA C-acetyltransferase | 0.0027 | 0.0851 | 0.0679 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.2737 | 0.2958 |
| Trichomonas vaginalis | pyruvate kinase, putative | 0.004 | 0.2737 | 0.5 |
| Schistosoma mansoni | pyruvate kinase | 0.004 | 0.2737 | 0.3154 |
| Loa Loa (eye worm) | pyruvate kinase-PB | 0.0028 | 0.0977 | 0.1055 |
| Trypanosoma brucei | pyruvate kinase 1, putative | 0.004 | 0.2737 | 0.5 |
| Leishmania major | pyruvate kinase | 0.004 | 0.2737 | 0.5 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0043 | 0.3186 | 0.4076 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.2737 | 0.5 |
| Echinococcus multilocularis | fetal alzheimer antigen, falz | 0.0027 | 0.0851 | 0.0739 |
| Giardia lamblia | Pyruvate kinase | 0.004 | 0.2737 | 0.5 |
| Loa Loa (eye worm) | PHD-finger family protein | 0.0025 | 0.0518 | 0.0559 |
| Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0977 | 0.1055 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0043 | 0.3186 | 0.4076 |
| Entamoeba histolytica | pyruvate kinase, putative | 0.0028 | 0.0977 | 0.5 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.2737 | 0.2958 |
| Echinococcus multilocularis | pyruvate kinase | 0.004 | 0.2737 | 0.3435 |
| Loa Loa (eye worm) | hypothetical protein | 0.0049 | 0.4024 | 0.4348 |
| Mycobacterium ulcerans | pyruvate kinase | 0.004 | 0.2737 | 0.5 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0072 | 0.7332 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 0.9254 | 1 |
| Brugia malayi | Bromodomain containing protein | 0.0046 | 0.3599 | 0.2673 |
| Echinococcus granulosus | pyruvate kinase | 0.004 | 0.2737 | 0.3435 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.2737 | 0.5 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0072 | 0.7332 | 1 |
| Trypanosoma cruzi | pyruvate kinase 2, putative | 0.004 | 0.2737 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 1 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | = 4.4668 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 8.9125 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 8.9125 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] | ChEMBL. | No reference |
| Potency (functional) | 11.6891 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) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] | ChEMBL. | No reference |
| Potency (binding) | = 31.6228 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) | 31.6228 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 |
| Potency (functional) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] | ChEMBL. | No reference |
| Potency (functional) | = 56.2341 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 89.1251 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] | 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: CHEMBL1535836
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.