Detailed information for compound 1380821
Basic information
Technical information
- TDR Targets ID: 1380821
- Name: N-(5-chloro-2-methoxyphenyl)-2-[2-(2-cyclohep tylidenehydrazinyl)-4-oxo-1,3-thiazol-5-yl]ac etamide
- MW: 422.929 | Formula: C19H23ClN4O3S
-
H donors: 2
H acceptors: 2
LogP: 3.31
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc(cc1NC(=O)CC1SC(=NC1=O)NN=C1CCCCCC1)Cl
- InChi: 1S/C19H23ClN4O3S/c1-27-15-9-8-12(20)10-14(15)21-17(25)11-16-18(26)22-19(28-16)24-23-13-6-4-2-3-5-7-13/h8-10,16H,2-7,11H2,1H3,(H,21,25)(H,22,24,26)
- InChiKey: WOJPMEDNVCPNMW-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-(5-chloro-2-methoxy-phenyl)-2-[2-(N'-cycloheptylidenehydrazino)-4-oxo-thiazol-5-yl]acetamide
- N-(5-chloro-2-methoxyphenyl)-2-[2-(N'-cycloheptylidenehydrazino)-4-oxo-5-thiazolyl]acetamide
- N-(5-chloro-2-methoxy-phenyl)-2-[2-(N'-cycloheptylidenehydrazino)-4-keto-thiazol-5-yl]acetamide
- N-(5-chloro-2-methoxy-phenyl)-2-[2-(2-cycloheptylidenehydrazinyl)-4-oxo-1,3-thiazol-5-yl]ethanamide
- AG-670/41934724
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
| Mus musculus | RAR-related orphan receptor gamma | Starlite/ChEMBL | No references |
| Equus caballus | Ferritin light chain | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
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 % |
| Schistosoma mansoni | ferritin | Ferritin light chain | 175 aa | 171 aa | 44.4 % |
| Echinococcus multilocularis | expressed protein | Ferritin light chain | 175 aa | 146 aa | 30.1 % |
| Schistosoma mansoni | ferritin | Ferritin light chain | 175 aa | 171 aa | 43.9 % |
| Schistosoma mansoni | apoferritin-2 | Ferritin light chain | 175 aa | 142 aa | 29.6 % |
| Mycobacterium tuberculosis | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
| Echinococcus granulosus | expressed protein | Ferritin light chain | 175 aa | 146 aa | 28.8 % |
| Schistosoma japonicum | Ferritin, putative | Ferritin light chain | 175 aa | 144 aa | 24.3 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 1 | 0.5 |
| Treponema pallidum | bacterioferrin (TpF1) | 0.001 | 0 | 0.5 |
| Schistosoma mansoni | nuclear hormone receptor nor-1/nor-2 | 0.0012 | 1 | 1 |
| Schistosoma mansoni | photoreceptor-specific nuclear receptor related | 0.0012 | 1 | 1 |
| Brugia malayi | nuclear receptor NHR-88 | 0.0012 | 1 | 0.5 |
| Brugia malayi | Steroid receptor seven-up type 2 | 0.0012 | 1 | 0.5 |
| Echinococcus granulosus | COUP TF:Svp nuclear hormone receptor | 0.0012 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-3 | 0.0012 | 1 | 0.5 |
| Echinococcus granulosus | FTZ F1 alpha | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-49 | 0.0012 | 1 | 0.5 |
| Schistosoma mansoni | RAR-like nuclear receptor | 0.0012 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0012 | 1 | 0.5 |
| Schistosoma mansoni | FTZ-F1 nuclear receptor-like protein | 0.0012 | 1 | 1 |
| Echinococcus multilocularis | ecdysone induced protein 78C | 0.0012 | 1 | 1 |
| Mycobacterium tuberculosis | Bacterioferritin BfrB | 0.001 | 0 | 0.5 |
| Wolbachia endosymbiont of Brugia malayi | bacterioferritin/cytochrome b1 | 0.001 | 0 | 0.5 |
| Onchocerca volvulus | 0.0012 | 1 | 0.5 | |
| Brugia malayi | Nuclear hormone receptor family member nhr-49 | 0.0012 | 1 | 0.5 |
| Onchocerca volvulus | Steroid hormone receptor family member cnr14 homolog | 0.0012 | 1 | 0.5 |
| Brugia malayi | nuclear hormone receptor | 0.0012 | 1 | 0.5 |
| Mycobacterium ulcerans | bacterioferritin BfrB | 0.001 | 0 | 0.5 |
| Onchocerca volvulus | Bile acid receptor homolog | 0.0012 | 1 | 0.5 |
| Schistosoma mansoni | nuclear receptor 2DBD-gamma | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-41 | 0.0012 | 1 | 0.5 |
| Echinococcus multilocularis | FTZ F1 alpha | 0.0012 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0012 | 1 | 0.5 |
| Brugia malayi | Nuclear hormone receptor family member nhr-1 | 0.0012 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 1 | 0.5 |
| Schistosoma mansoni | Tr4/Tr2 (homologue) | 0.0012 | 1 | 1 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0012 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 1 | 0.5 |
| Schistosoma mansoni | steroid hormone receptor ad4bp | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 1 | 0.5 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-31 | 0.0012 | 1 | 0.5 |
| Echinococcus granulosus | Nuclear hormone receptor family member nhr 41 | 0.0012 | 1 | 1 |
| Schistosoma mansoni | nuclear hormone receptor | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | nuclear Hormone Receptor family member | 0.0012 | 1 | 0.5 |
| Brugia malayi | steroid hormone receptor | 0.0012 | 1 | 0.5 |
| Brugia malayi | Nuclear hormone receptor family member nhr-41 | 0.0012 | 1 | 0.5 |
| Echinococcus granulosus | hepatocyte nuclear factor 4 alpha | 0.0012 | 1 | 1 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.0012 | 1 | 1 |
| Echinococcus granulosus | retinoic acid receptor rxr beta a | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 1 | 0.5 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0012 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0012 | 1 | 0.5 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0012 | 1 | 1 |
| Onchocerca volvulus | Protein ultraspiracle homolog | 0.0012 | 1 | 0.5 |
| Echinococcus multilocularis | COUP TF:Svp nuclear hormone receptor | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-40 | 0.0012 | 1 | 0.5 |
| Echinococcus granulosus | ecdysone induced protein 78C | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | steroid hormone receptor | 0.0012 | 1 | 0.5 |
| Echinococcus multilocularis | thyroid hormone receptor alpha | 0.0012 | 1 | 1 |
| Echinococcus multilocularis | hepatocyte nuclear factor 4 alpha | 0.0012 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0012 | 1 | 0.5 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0012 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 1 | 0.5 |
| Schistosoma mansoni | coup transcription factor | 0.0012 | 1 | 1 |
| Mycobacterium leprae | PROBABLE BACTERIOFERRITIN BFRA | 0.001 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 1 | 0.5 |
| Trichomonas vaginalis | ferritin, putative | 0.001 | 0 | 0.5 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0012 | 1 | 0.5 |
| Echinococcus multilocularis | Nuclear hormone receptor family member nhr 41 | 0.0012 | 1 | 1 |
| Mycobacterium tuberculosis | Probable bacterioferritin BfrA | 0.001 | 0 | 0.5 |
| Brugia malayi | Nuclear hormone receptor family member nhr-31 | 0.0012 | 1 | 0.5 |
| Brugia malayi | Nuclear hormone receptor family member nhr-40 | 0.0012 | 1 | 0.5 |
| Brugia malayi | Nuclear hormone receptor family member nhr-14 | 0.0012 | 1 | 0.5 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0012 | 1 | 0.5 |
| Echinococcus granulosus | FTZ F1 nuclear receptor protein | 0.0012 | 1 | 1 |
| Echinococcus multilocularis | FTZ F1 nuclear receptor protein | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-1 | 0.0012 | 1 | 0.5 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0012 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0012 | 1 | 1 |
| Schistosoma mansoni | retinoic acid receptor RXR | 0.0012 | 1 | 1 |
| Mycobacterium ulcerans | bacterioferritin BfrA | 0.001 | 0 | 0.5 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-14 | 0.0012 | 1 | 0.5 |
| Brugia malayi | photoreceptor-specific nuclear receptor | 0.0012 | 1 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 3.5481 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 5.0119 um | PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | 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) | 13.1154 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 (binding) | = 14.1254 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) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 25.929 uM | PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 29.081 uM | PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] | ChEMBL. | No reference |
| Potency (functional) | = 70.7946 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 100 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: CHEMBL1509438
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.