Detailed information for compound 651680
Basic information
Technical information
- TDR Targets ID: 651680
- Name: N-(3-nitrophenyl)-4-phenylbenzamide
- MW: 318.326 | Formula: C19H14N2O3
-
H donors: 1
H acceptors: 3
LogP: 4.21
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(c1ccc(cc1)c1ccccc1)Nc1cccc(c1)[N+](=O)[O-]
- InChi: 1S/C19H14N2O3/c22-19(20-17-7-4-8-18(13-17)21(23)24)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13H,(H,20,22)
- InChiKey: UNGVGOSZFLIKHH-UHFFFAOYSA-N
Network
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Synonyms
- N-(3-nitrophenyl)-4-phenyl-benzamide
- Oprea1_626544
- CBMicro_014350
- BIM-0014386.P001
- ZINC00256378
- Oprea1_850169
- MLS000595169
- N-(3-nitrophenyl)-4-biphenylcarboxamide
- SMR000184910
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | transient receptor potential cation channel, subfamily V, member 1 | Starlite/ChEMBL | No references |
| Mus musculus | RAR-related orphan receptor gamma | 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
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Brugia malayi | steroid hormone receptor | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-40 | 0.0012 | 1 | 1 |
| Schistosoma mansoni | retinoic acid receptor RXR | 0.0012 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor subfamily 1 group D | 0.0006 | 0.1071 | 0.1071 |
| Loa Loa (eye worm) | steroid hormone receptor | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 1 | 1 |
| Echinococcus granulosus | ecdysone induced protein 78C | 0.0012 | 1 | 1 |
| Echinococcus multilocularis | thyroid hormone receptor alpha | 0.0012 | 1 | 1 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 1 | 1 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0012 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-40 | 0.0012 | 1 | 1 |
| Echinococcus multilocularis | FTZ F1 alpha | 0.0012 | 1 | 1 |
| Schistosoma mansoni | ecdysone-induced protein 78c (dr-78) | 0.0006 | 0.1071 | 0.1071 |
| Echinococcus multilocularis | nuclear receptor subfamily 1 group D | 0.0006 | 0.1071 | 0.1071 |
| Loa Loa (eye worm) | hypothetical protein | 0.0006 | 0.1071 | 0.1071 |
| Onchocerca volvulus | Bile acid receptor homolog | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0012 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-3 | 0.0012 | 1 | 1 |
| Schistosoma mansoni | nuclear hormone receptor | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 1 | 1 |
| Brugia malayi | Steroid receptor seven-up type 2 | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | nuclear Hormone Receptor family member | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 1 | 1 |
| Echinococcus granulosus | COUP TF:Svp nuclear hormone receptor | 0.0012 | 1 | 1 |
| Schistosoma mansoni | nuclear hormone receptor nor-1/nor-2 | 0.0012 | 1 | 1 |
| Echinococcus granulosus | retinoic acid receptor rxr beta a | 0.0012 | 1 | 1 |
| Onchocerca volvulus | Steroid hormone receptor family member cnr14 homolog | 0.0012 | 1 | 1 |
| Echinococcus multilocularis | ecdysone induced protein 78C | 0.0012 | 1 | 1 |
| Brugia malayi | nuclear receptor RXR | 0.0006 | 0.1071 | 0.1071 |
| Brugia malayi | hypothetical protein | 0.0006 | 0.1071 | 0.1071 |
| Echinococcus granulosus | FTZ F1 nuclear receptor protein | 0.0012 | 1 | 1 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0012 | 1 | 1 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0012 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0006 | 0.1071 | 0.1071 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-14 | 0.0012 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-31 | 0.0012 | 1 | 1 |
| Schistosoma mansoni | Tr4/Tr2 (homologue) | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-31 | 0.0012 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-14 | 0.0012 | 1 | 1 |
| Schistosoma mansoni | coup transcription factor | 0.0012 | 1 | 1 |
| Brugia malayi | nuclear hormone receptor | 0.0012 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-41 | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0006 | 0.1071 | 0.1071 |
| Schistosoma mansoni | nuclear receptor 2DBD-gamma | 0.0012 | 1 | 1 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0012 | 1 | 1 |
| Brugia malayi | photoreceptor-specific nuclear receptor | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0006 | 0.1071 | 0.1071 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-49 | 0.0012 | 1 | 1 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0012 | 1 | 1 |
| Onchocerca volvulus | 0.0012 | 1 | 1 | |
| Onchocerca volvulus | Protein ultraspiracle homolog | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor-like 1 | 0.0006 | 0.1071 | 0.1071 |
| Loa Loa (eye worm) | hypothetical protein | 0.0006 | 0.1071 | 0.1071 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0012 | 1 | 1 |
| Echinococcus multilocularis | hepatocyte nuclear factor 4 alpha | 0.0012 | 1 | 1 |
| Echinococcus multilocularis | Nuclear hormone receptor family member nhr 41 | 0.0012 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0006 | 0.1071 | 0.1071 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0006 | 0.1071 | 0.1071 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0006 | 0.1071 | 0.1071 |
| Schistosoma mansoni | steroid hormone receptor ad4bp | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 1 | 1 |
| Echinococcus granulosus | FTZ F1 alpha | 0.0012 | 1 | 1 |
| Brugia malayi | nuclear receptor NHR-88 | 0.0012 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0012 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-49 | 0.0012 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0012 | 1 | 1 |
| Echinococcus granulosus | Nuclear hormone receptor family member nhr 41 | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 1 | 1 |
| Schistosoma mansoni | photoreceptor-specific nuclear receptor related | 0.0012 | 1 | 1 |
| Echinococcus granulosus | hepatocyte nuclear factor 4 alpha | 0.0012 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-1 | 0.0012 | 1 | 1 |
| Echinococcus multilocularis | COUP TF:Svp nuclear hormone receptor | 0.0012 | 1 | 1 |
| Schistosoma mansoni | FTZ-F1 nuclear receptor-like protein | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-41 | 0.0012 | 1 | 1 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.0006 | 0.1071 | 0.1071 |
| Echinococcus multilocularis | FTZ F1 nuclear receptor protein | 0.0012 | 1 | 1 |
| Schistosoma mansoni | RAR-like nuclear receptor | 0.0012 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-1 | 0.0012 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0012 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 0.1827 uM | PUBCHEM_BIOASSAY: qHTS Assay for Compounds that Act as Agonists of the Vanilloid Receptor 1: Hit Validation. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 0.205 uM | PUBCHEM_BIOASSAY: qHTS Assay for Compounds that Act as Potentiators of the Vanilloid Receptor 1: Hit Validation. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 0.631 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | ChEMBL. | No reference |
| Potency (functional) | 1.4716 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) | 2.5119 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] | ChEMBL. | No reference |
| Potency (functional) | 3.2944 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) | = 15.8489 um | PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] | ChEMBL. | No reference |
| Potency (functional) | = 89.1251 um | PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
| Potency (functional) | 100 uM | PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | ChEMBL23 | ||
| 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: CHEMBL1574751
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Bibliographic References
No literature references available for this target.
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