Detailed information for compound 1371640
Basic information
Technical information
- TDR Targets ID: 1371640
- Name: 2-chloro-N-(2-hydroxy-5-methylphenyl)-5-nitro benzamide
- MW: 306.701 | Formula: C14H11ClN2O4
-
H donors: 2
H acceptors: 4
LogP: 3.22
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: Cc1ccc(c(c1)NC(=O)c1cc(ccc1Cl)[N+](=O)[O-])O
- InChi: 1S/C14H11ClN2O4/c1-8-2-5-13(18)12(6-8)16-14(19)10-7-9(17(20)21)3-4-11(10)15/h2-7,18H,1H3,(H,16,19)
- InChiKey: HEQHCEMLTSTZSQ-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 2-chloro-N-(2-hydroxy-5-methyl-phenyl)-5-nitro-benzamide
- ZINC00313800
- STK037695
- MLS000676472
- SMR000299030
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | fatty acid synthase | Starlite/ChEMBL | No references |
| Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
| Homo sapiens | glycoprotein hormones, alpha polypeptide | Starlite/ChEMBL | No references |
| Homo sapiens | survival of motor neuron 2, centromeric | Starlite/ChEMBL | No references |
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Homo sapiens | muscleblind-like splicing regulator 1 | Starlite/ChEMBL | No references |
| Homo sapiens | tumor protein p53 | Starlite/ChEMBL | No references |
| Homo sapiens | glutaminase | 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 |
|---|---|---|---|---|---|
| Loa Loa (eye worm) | pigment dispersing factor receptor c | glucagon-like peptide 1 receptor | 463 aa | 388 aa | 25.8 % |
| 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 | thioesterase TesA | 0.0025 | 0.0122 | 0.0056 |
| Loa Loa (eye worm) | hypothetical protein | 0.0051 | 0.0397 | 0.116 |
| Mycobacterium ulcerans | phenolpthiocerol synthesis type-I polyketide synthase PpsD | 0.003 | 0.0176 | 0.0111 |
| Mycobacterium ulcerans | glutaminase | 0.033 | 0.3425 | 0.3382 |
| Echinococcus granulosus | tumor protein p63 | 0.0408 | 0.4269 | 1 |
| Mycobacterium ulcerans | 3-oxoacyl-ACP synthase | 0.0937 | 1 | 1 |
| Mycobacterium ulcerans | polyketide synthase | 0.0032 | 0.0196 | 0.0131 |
| Mycobacterium tuberculosis | Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) | 0.0028 | 0.0154 | 0.0119 |
| Wolbachia endosymbiont of Brugia malayi | 3-oxoacyl-ACP synthase | 0.0937 | 1 | 0.5 |
| Echinococcus multilocularis | muscleblind protein | 0.018 | 0.1804 | 0.4148 |
| Brugia malayi | hypothetical protein | 0.0043 | 0.0321 | 0.0784 |
| Mycobacterium ulcerans | Type I modular polyketide synthase | 0.003 | 0.0176 | 0.0111 |
| Plasmodium vivax | beta-ketoacyl-acyl carrier protein synthase III precursor, putative | 0.0937 | 1 | 0.5 |
| Mycobacterium leprae | PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC | 0.0032 | 0.0196 | 0.481 |
| Mycobacterium ulcerans | phenolpthiocerol synthesis type-I polyketide synthase PpsB | 0.0024 | 0.0112 | 0.0047 |
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0.0296 | 0.0711 |
| Mycobacterium tuberculosis | Probable polyketide synthase Pks8 | 0.0025 | 0.0117 | 0.0081 |
| Mycobacterium ulcerans | Type I modular polyketide synthase | 0.003 | 0.0176 | 0.0111 |
| Toxoplasma gondii | type I fatty acid synthase, putative | 0.0032 | 0.0196 | 1 |
| Brugia malayi | Iron-sulfur cluster assembly accessory protein | 0.0058 | 0.0481 | 0.126 |
| Onchocerca volvulus | Fatty acid synthase homolog | 0.0054 | 0.0437 | 0.8251 |
| Brugia malayi | Beta-ketoacyl synthase, N-terminal domain containing protein | 0.003 | 0.0176 | 0.0354 |
| Entamoeba histolytica | fatty acid elongase, putative | 0.0122 | 0.1168 | 1 |
| Mycobacterium ulcerans | multifunctional mycocerosic acid synthase membrane-associated Mas | 0.0032 | 0.0196 | 0.0131 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.0502 | 0.1323 |
| Brugia malayi | hypothetical protein | 0.0286 | 0.2942 | 0.8568 |
| Mycobacterium leprae | Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas | 0.0032 | 0.0196 | 0.481 |
| Mycobacterium ulcerans | 3-oxoacyl-ACP synthase | 0.0937 | 1 | 1 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.0296 | 0.0711 |
| Loa Loa (eye worm) | glutaminase 2 | 0.033 | 0.3425 | 1 |
| Mycobacterium ulcerans | beta-ketoacyl synthase-like protein | 0.0937 | 1 | 1 |
| Onchocerca volvulus | 0.006 | 0.0497 | 1 | |
| Trichomonas vaginalis | glutaminase, putative | 0.033 | 0.3425 | 0.5 |
| Mycobacterium leprae | PROBABLE THIOESTERASE TESA | 0.0025 | 0.0122 | 0.2064 |
| Mycobacterium ulcerans | thioesterase | 0.0025 | 0.0122 | 0.0056 |
| Mycobacterium tuberculosis | Phenolpthiocerol synthesis type-I polyketide synthase PpsA | 0.003 | 0.0176 | 0.0141 |
| Loa Loa (eye worm) | hypothetical protein | 0.018 | 0.1804 | 0.5266 |
| Schistosoma mansoni | cellular tumor antigen P53 | 0.006 | 0.0497 | 0.1308 |
| Mycobacterium tuberculosis | Phenolpthiocerol synthesis type-I polyketide synthase PpsD | 0.003 | 0.0176 | 0.0141 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.0296 | 0.0864 |
| Schistosoma mansoni | glutaminase | 0.033 | 0.3425 | 1 |
| Schistosoma mansoni | survival motor neuron protein | 0.0058 | 0.0481 | 0.126 |
| Echinococcus multilocularis | muscleblind protein 1 | 0.018 | 0.1804 | 0.4148 |
| Mycobacterium tuberculosis | Polyketide synthase Pks12 | 0.0032 | 0.0196 | 0.0161 |
| Onchocerca volvulus | 0.0058 | 0.0481 | 0.9532 | |
| Loa Loa (eye worm) | fatty acid synthase | 0.003 | 0.0172 | 0.0501 |
| Onchocerca volvulus | 0.0052 | 0.0417 | 0.7661 | |
| Schistosoma mansoni | hypothetical protein | 0.0058 | 0.0481 | 0.126 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.0502 | 0.1323 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.0321 | 0.0627 |
| Echinococcus multilocularis | tumor protein p63 | 0.0408 | 0.4269 | 1 |
| Entamoeba histolytica | fatty acid elongase, putative | 0.0122 | 0.1168 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.0502 | 0.1466 |
| Echinococcus granulosus | muscleblind protein | 0.018 | 0.1804 | 0.4148 |
| Brugia malayi | AMP-binding enzyme family protein | 0.0028 | 0.0154 | 0.0291 |
| Mycobacterium tuberculosis | Probable multifunctional mycocerosic acid synthase membrane-associated Mas | 0.0032 | 0.0196 | 0.0161 |
| Toxoplasma gondii | type I fatty acid synthase, putative | 0.0021 | 0.0082 | 0.3708 |
| Mycobacterium ulcerans | phenolpthiocerol synthesis type-I polyketide synthase PpsC | 0.0032 | 0.0196 | 0.0131 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.0321 | 0.0784 |
| Brugia malayi | glutaminase DH11.1 | 0.033 | 0.3425 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0019 | 0.0057 | 0.0165 |
| Loa Loa (eye worm) | glutaminase | 0.033 | 0.3425 | 1 |
| Mycobacterium tuberculosis | Polyketide synthase Pks2 | 0.0029 | 0.0166 | 0.0131 |
| Loa Loa (eye worm) | hypothetical protein | 0.018 | 0.1804 | 0.5266 |
| Mycobacterium tuberculosis | Probable polyketide synthase Pks1 | 0.0022 | 0.0084 | 0.0049 |
| Loa Loa (eye worm) | latrophilin receptor protein 2 | 0.0019 | 0.0057 | 0.0165 |
| Entamoeba histolytica | fatty acid elongase, putative | 0.0122 | 0.1168 | 1 |
| Mycobacterium ulcerans | polyketide synthase Pks13 | 0.0045 | 0.0337 | 0.0273 |
| Loa Loa (eye worm) | AMP-binding enzyme family protein | 0.0028 | 0.0154 | 0.0451 |
| Mycobacterium leprae | PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD | 0.003 | 0.0176 | 0.4065 |
| Mycobacterium tuberculosis | Probable thioesterase TesA | 0.0025 | 0.0122 | 0.0087 |
| Loa Loa (eye worm) | hypothetical protein | 0.0286 | 0.2942 | 0.8591 |
| Loa Loa (eye worm) | hypothetical protein | 0.0017 | 0.0033 | 0.0095 |
| Entamoeba histolytica | fatty acid elongase, putative | 0.0122 | 0.1168 | 1 |
| Entamoeba histolytica | fatty acid elongase, putative | 0.0122 | 0.1168 | 1 |
| Mycobacterium ulcerans | phenolpthiocerol synthesis type-I polyketide synthase PpsA | 0.0024 | 0.0112 | 0.0047 |
| Brugia malayi | Muscleblind-like protein | 0.018 | 0.1804 | 0.5187 |
| Mycobacterium ulcerans | polyketide synthase | 0.003 | 0.0176 | 0.0111 |
| Toxoplasma gondii | beta-ketoacyl synthase, N-terminal domain-containing protein | 0.002 | 0.0061 | 0.2574 |
| Mycobacterium leprae | PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB | 0.0024 | 0.0112 | 0.172 |
| Mycobacterium tuberculosis | Probable polyketide synthase Pks5 | 0.0029 | 0.0166 | 0.0131 |
| Schistosoma mansoni | hypothetical protein | 0.0043 | 0.0321 | 0.0784 |
| Mycobacterium tuberculosis | Phenolpthiocerol synthesis type-I polyketide synthase PpsC | 0.003 | 0.0176 | 0.0141 |
| Mycobacterium ulcerans | Type I modular polyketide synthase | 0.003 | 0.0176 | 0.0111 |
| Plasmodium falciparum | beta-ketoacyl-ACP synthase III | 0.0937 | 1 | 0.5 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.0502 | 0.1466 |
| Echinococcus multilocularis | survival motor neuron protein 1 | 0.0286 | 0.2942 | 0.6851 |
| Mycobacterium leprae | Polyketide synthase Pks13 | 0.0045 | 0.0337 | 1 |
| Mycobacterium tuberculosis | Polyketide synthase Pks13 | 0.0045 | 0.0337 | 0.0303 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.0321 | 0.0627 |
| Mycobacterium tuberculosis | Probable polyketide synthase Pks7 | 0.0032 | 0.0196 | 0.0161 |
| Brugia malayi | oxidoreductase, zinc-binding dehydrogenase family protein | 0.0057 | 0.0467 | 0.1219 |
| Mycobacterium leprae | PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA | 0.003 | 0.0176 | 0.4065 |
| Mycobacterium tuberculosis | 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) | 0.0937 | 1 | 1 |
| Mycobacterium tuberculosis | Probable membrane bound polyketide synthase Pks6 | 0.0045 | 0.0337 | 0.0303 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.0497 | 0.1451 |
| Echinococcus granulosus | survival motor neuron protein 1 | 0.0286 | 0.2942 | 0.6851 |
| Mycobacterium leprae | Probable polyketide synthase Pks1 | 0.0032 | 0.0196 | 0.481 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (functional) | 13.4 uM | PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| IC50 (functional) | 15.8 uM | PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 2.8184 uM | PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 2.9093 uM | PubChem BioAssay. qHTS of Nrf2 Activators: Hit Validation in Primary Assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 3.5481 uM | PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 9.285 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) | = 11.2202 um | PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 12.5893 uM | PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] | ChEMBL. | No reference |
| Potency (functional) | 12.5893 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | 15.8489 uM | PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 19.9526 uM | PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 23.0999 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) | = 25.1189 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) | = 28.1838 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 (functional) | 28.1838 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) | 29.0929 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) | = 35.4813 um | PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 89.1251 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 for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | 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: CHEMBL1501202
Bibliographic References
No literature references available for this target.
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