Detailed information for compound 1283588
Basic information
Technical information
- TDR Targets ID: 1283588
- Name: 2-chloro-N-[2-(5-methylfuran-2-yl)phenyl]acet amide
- MW: 249.693 | Formula: C13H12ClNO2
-
H donors: 1
H acceptors: 1
LogP: 2.85
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: ClCC(=O)Nc1ccccc1c1ccc(o1)C
- InChi: 1S/C13H12ClNO2/c1-9-6-7-12(17-9)10-4-2-3-5-11(10)15-13(16)8-14/h2-7H,8H2,1H3,(H,15,16)
- InChiKey: OGPBLZDHOJMBPT-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 2-chloro-N-[2-(5-methyl-2-furyl)phenyl]acetamide
- 2-chloro-N-[2-(5-methylfuran-2-yl)phenyl]ethanamide
- ZINC00510443
- ST5272034
- 2-Chloro-N-[2-(5-methyl-furan-2-yl)-phenyl]-acetamide
- BAS 03420602
- MLS000554794
- SMR000146911
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | glycoprotein hormones, alpha polypeptide | Starlite/ChEMBL | No references |
| Homo sapiens | pyruvate kinase, muscle | Starlite/ChEMBL | No references |
| Homo sapiens | aldehyde dehydrogenase 1 family, member A1 | Starlite/ChEMBL | No references |
| Influenza A virus | Nonstructural protein 1 | 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 % |
| Mycobacterium tuberculosis | Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 | aldehyde dehydrogenase 1 family, member A1 | 501 aa | 456 aa | 33.3 % |
| Toxoplasma gondii | intraflagellar transport protein 172, putative | glycoprotein hormones, alpha polypeptide | 116 aa | 94 aa | 26.6 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.0336 | 1 |
| Entamoeba histolytica | protein tyrosine phosphatase, putative | 0.0029 | 0 | 0.5 |
| Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.0336 | 1 |
| Echinococcus multilocularis | aldehyde dehydrogenase, mitochondrial | 0.0073 | 0.0336 | 0.125 |
| Mycobacterium tuberculosis | Probable aldehyde dehydrogenase | 0.0073 | 0.0336 | 1 |
| Echinococcus granulosus | pyruvate kinase | 0.004 | 0.0085 | 0.0318 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.0085 | 0.0085 |
| Echinococcus multilocularis | tyrosine protein phosphatase non receptor type | 0.0383 | 0.2689 | 1 |
| Loa Loa (eye worm) | protein-tyrosine phosphatase | 0.1347 | 1 | 1 |
| Schistosoma mansoni | protein tyrosine phosphatase non-receptor type nt1 | 0.0383 | 0.2689 | 1 |
| Echinococcus granulosus | tyrosine protein phosphatase non receptor type | 0.0383 | 0.2689 | 1 |
| Trypanosoma brucei | pyruvate kinase 1, putative | 0.004 | 0.0085 | 1 |
| Onchocerca volvulus | 0.1347 | 1 | 1 | |
| Schistosoma mansoni | pyruvate kinase | 0.004 | 0.0085 | 0.0318 |
| Schistosoma mansoni | pyruvate kinase | 0.004 | 0.0085 | 0.0318 |
| Onchocerca volvulus | 0.1347 | 1 | 1 | |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.0085 | 0.0085 |
| Brugia malayi | Pyruvate kinase, M2 isozyme | 0.004 | 0.0085 | 0.0085 |
| Trichomonas vaginalis | pyruvate kinase, putative | 0.004 | 0.0085 | 1 |
| Trypanosoma cruzi | pyruvate kinase 2, putative | 0.004 | 0.0085 | 1 |
| Giardia lamblia | Pyruvate kinase | 0.004 | 0.0085 | 1 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.0085 | 0.0085 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.0085 | 0.0085 |
| Leishmania major | pyruvate kinase | 0.004 | 0.0085 | 0.2542 |
| Plasmodium vivax | pyruvate kinase, putative | 0.004 | 0.0085 | 0.5 |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0383 | 0.2689 | 0.2689 |
| Echinococcus multilocularis | pyruvate kinase | 0.004 | 0.0085 | 0.0318 |
| Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.0336 | 0.125 |
| Echinococcus multilocularis | pyruvate kinase | 0.0032 | 0.0021 | 0.0078 |
| Echinococcus granulosus | pyruvate kinase | 0.004 | 0.0085 | 0.0318 |
| Plasmodium falciparum | pyruvate kinase | 0.004 | 0.0085 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.004 | 0.0085 | 0.0085 |
| Echinococcus multilocularis | pyruvate kinase | 0.004 | 0.0085 | 0.0318 |
| Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.0336 | 1 |
| Trichomonas vaginalis | pyruvate kinase, putative | 0.004 | 0.0085 | 1 |
| Leishmania major | aldehyde dehydrogenase, mitochondrial precursor | 0.0073 | 0.0336 | 1 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.0085 | 0.0085 |
| Trypanosoma brucei | pyruvate kinase 1 | 0.004 | 0.0085 | 1 |
| Chlamydia trachomatis | pyruvate kinase | 0.004 | 0.0085 | 0.5 |
| Entamoeba histolytica | protein tyrosine phosphatase, putative | 0.0029 | 0 | 0.5 |
| Trypanosoma cruzi | pyruvate kinase 2, putative | 0.004 | 0.0085 | 1 |
| Echinococcus granulosus | aldehyde dehydrogenase mitochondrial | 0.0073 | 0.0336 | 0.125 |
| Entamoeba histolytica | Pten 3-phosphoinositide phosphatase, putative | 0.0029 | 0 | 0.5 |
| Brugia malayi | Pyruvate kinase, muscle isozyme | 0.004 | 0.0085 | 0.0085 |
| Toxoplasma gondii | aldehyde dehydrogenase | 0.0073 | 0.0336 | 1 |
| Leishmania major | pyruvate kinase | 0.004 | 0.0085 | 0.2542 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.0085 | 0.0085 |
| Loa Loa (eye worm) | protein-tyrosine phosphatase | 0.0383 | 0.2689 | 0.2689 |
| Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.0336 | 0.125 |
| Mycobacterium leprae | Probable pyruvate kinase PykA | 0.004 | 0.0085 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 7.0795 uM | PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 8.9125 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 10 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) | 10.4179 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) | 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) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 19.9526 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) | 25.1189 uM | PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 25.929 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) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 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 |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | 44.6684 uM | PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory) | 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: CHEMBL1383008
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.