Detailed information for compound 1354428
Basic information
Technical information
- TDR Targets ID: 1354428
- Name: 2-chloro-N-(6-methoxyquinolin-8-yl)benzamide
- MW: 312.75 | Formula: C17H13ClN2O2
-
H donors: 1
H acceptors: 2
LogP: 3.62
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: COc1cc(NC(=O)c2ccccc2Cl)c2c(c1)cccn2
- InChi: 1S/C17H13ClN2O2/c1-22-12-9-11-5-4-8-19-16(11)15(10-12)20-17(21)13-6-2-3-7-14(13)18/h2-10H,1H3,(H,20,21)
- InChiKey: BAVKFZHBWCVKJX-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 2-chloro-N-(6-methoxy-8-quinolyl)benzamide
- ZINC00067031
- 2-Chloro-N-(6-methoxy-quinolin-8-yl)-benzamide
- BAS 00792526
- A1709/0072853
- Oprea1_007469
- Oprea1_410901
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Homo sapiens | TAR DNA binding protein | Starlite/ChEMBL | No references |
| Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
| Homo sapiens | isocitrate dehydrogenase 1 (NADP+), soluble | Starlite/ChEMBL | No references |
| Equus caballus | Ferritin light chain | 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 |
|---|---|---|---|---|---|
| Schistosoma mansoni | apoferritin-2 | Ferritin light chain | 175 aa | 146 aa | 28.8 % |
| Echinococcus multilocularis | expressed protein | Ferritin light chain | 175 aa | 146 aa | 30.1 % |
| Schistosoma mansoni | apoferritin-2 | Ferritin light chain | 175 aa | 142 aa | 29.6 % |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | glucagon-like peptide 1 receptor | 463 aa | 388 aa | 25.8 % |
| Brugia malayi | Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X | geminin, DNA replication inhibitor | 209 aa | 176 aa | 27.8 % |
| Schistosoma japonicum | Ferritin, putative | Ferritin light chain | 175 aa | 144 aa | 24.3 % |
| Schistosoma mansoni | ferritin | Ferritin light chain | 175 aa | 171 aa | 44.4 % |
| Schistosoma mansoni | ferritin | Ferritin light chain | 175 aa | 171 aa | 43.9 % |
| Echinococcus granulosus | expressed protein | Ferritin light chain | 175 aa | 146 aa | 28.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.3096 | 0.3096 |
| Echinococcus granulosus | NADP dependent isocitrate dehydrogenase | 0.0019 | 0.0002 | 0.0002 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 0.3096 | 0.3096 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.2218 | 0.7163 |
| Trypanosoma brucei | isocitrate dehydrogenase [NADP], mitochondrial precursor, putative | 0.0019 | 0.0002 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0.1191 | 0.1191 |
| Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.0019 | 0.0002 | 0.0002 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.1191 | 0.3848 |
| Brugia malayi | TAR-binding protein | 0.0076 | 0.3096 | 1 |
| Echinococcus multilocularis | isocitrate dehydrogenase 2 (NADP+) | 0.0019 | 0.0002 | 0.0002 |
| Mycobacterium tuberculosis | Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) | 0.0019 | 0.0002 | 0.5 |
| Brugia malayi | RNA binding protein | 0.0076 | 0.3096 | 1 |
| Echinococcus multilocularis | isocitrate dehydrogenase | 0.0019 | 0.0002 | 0.0002 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 0.3096 | 0.3096 |
| Schistosoma mansoni | hypothetical protein | 0.0205 | 1 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.3096 | 0.3096 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 0.3096 | 1 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.3096 | 1 |
| Trypanosoma cruzi | isocitrate dehydrogenase [NADP], mitochondrial precursor, putative | 0.0019 | 0.0002 | 0.5 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.1191 | 0.3848 |
| Trypanosoma cruzi | isocitrate dehydrogenase, putative | 0.0019 | 0.0002 | 0.5 |
| Schistosoma mansoni | NADP-specific isocitrate dehydrogenase | 0.0019 | 0.0002 | 0.0002 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.3096 | 0.3096 |
| Brugia malayi | isocitrate dehydrogenase | 0.0019 | 0.0002 | 0.0005 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.3096 | 0.3096 |
| Toxoplasma gondii | isocitrate dehydrogenase | 0.0019 | 0.0002 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0205 | 1 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.2218 | 0.7163 |
| Brugia malayi | Isocitrate dehydrogenase | 0.0019 | 0.0002 | 0.0005 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.3096 | 1 |
| Echinococcus multilocularis | geminin | 0.0205 | 1 | 1 |
| Plasmodium falciparum | isocitrate dehydrogenase [NADP], mitochondrial | 0.0019 | 0.0002 | 0.5 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.2218 | 0.7163 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.3096 | 0.3096 |
| Leishmania major | isocitrate dehydrogenase [NADP], mitochondrial precursor, putative | 0.0019 | 0.0002 | 0.5 |
| Toxoplasma gondii | isocitrate dehydrogenase | 0.0019 | 0.0002 | 0.5 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.3096 | 1 |
| Trypanosoma brucei | isocitrate dehydrogenase, putative | 0.0019 | 0.0002 | 0.5 |
| Plasmodium vivax | isocitrate dehydrogenase [NADP], mitochondrial, putative | 0.0019 | 0.0002 | 0.5 |
| Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.0019 | 0.0002 | 0.0002 |
| Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.0019 | 0.0002 | 0.0002 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.2218 | 0.7163 |
| Loa Loa (eye worm) | isocitrate dehydrogenase | 0.0019 | 0.0002 | 0.0005 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 3.6964 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) | 4.6109 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) | 11.2202 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 17.7828 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) | 18.3564 uM | PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 19.9526 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 22.3872 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) | 23.9341 uM | PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 44.6684 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) | 79.4328 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) | 79.4328 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | 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: CHEMBL1459991
Bibliographic References
No literature references available for this target.
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